N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C34H55N7O6 — CID 155417990

IUPACN-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCc1ncccn1)OC)N(C)C(=O)CNC(=O)C1C2CCC(C2)N1C
InChIInChI=1S/C34H55N7O6/c1-8-21(2)30(40(5)29(43)20-38-34(45)31-23-12-13-24(17-23)39(31)4)26(46-6)18-28(42)41-16-9-11-25(41)32(47-7)22(3)33(44)37-19-27-35-14-10-15-36-27/h10,14-15,21-26,30-32H,8-9,11-13,16-20H2,1-7H3,(H,37,44)(H,38,45)
InChIKeyPXSAOBCRYRDDLO-UHFFFAOYSA-N
MW657.86 g/mol
LogP1.61
Rot. Bonds16

About N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 155417990) has the molecular formula C34H55N7O6 and a molecular weight of 657.86 g/mol. Its IUPAC name is N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID155417990
Molecular FormulaC34H55N7O6
Molecular Weight657.86 g/mol
Exact Mass657.42
IUPAC NameN-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCc1ncccn1)OC)N(C)C(=O)CNC(=O)C1C2CCC(C2)N1C
InChIInChI=1S/C34H55N7O6/c1-8-21(2)30(40(5)29(43)20-38-34(45)31-23-12-13-24(17-23)39(31)4)26(46-6)18-28(42)41-16-9-11-25(41)32(47-7)22(3)33(44)37-19-27-35-14-10-15-36-27/h10,14-15,21-26,30-32H,8-9,11-13,16-20H2,1-7H3,(H,37,44)(H,38,45)
InChIKeyPXSAOBCRYRDDLO-UHFFFAOYSA-N
XLogP1.61
TPSA146.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.86
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide with MolForge

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Related Compounds

(4S)-N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 155417998
N-[2-[[1-[2-[3-[[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]anilino]-2-oxoethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123586694
2-[[3-[1-[4-[[2-[[2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoyl]-2-azabicyclo[2.2.1]heptane-3-carbonyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]acetic acid
CID 144871301
3-[1-[4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 146415508
3-hydroxy-N-[2-[[1-[2-[3-(2-hydroxyethylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]azetidine-2-carboxamide
CID 170794542
methyl N-[1-[[2-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(1,3-thiazol-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 137465355
methyl 2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[3-methyl-2-[(2-methyl-2-azabicyclo[2.2.1]heptane-3-carbonyl)amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 123491647
methyl 2-[[3-methoxy-3-[(2S)-1-[3-methoxy-5-methyl-4-[methyl-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]acetate
CID 146647930
N-[2-[[(5S)-3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(phenacylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 144592043
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[2-(pyrimidin-2-ylamino)acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanamide
CID 129093463
N-[1-[[1-[2-[3-[[1-(3-aminophenyl)-3-hydroxypropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 166671366
(1R,3S,4S)-N-[1-[[1-[(2S)-2-[3-[[1-(3-aminophenyl)-3-hydroxypropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 146279761

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 155417990) is N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCc1ncccn1)OC)N(C)C(=O)CNC(=O)C1C2CCC(C2)N1C.
What is the InChIKey of N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is PXSAOBCRYRDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55N7O6/c1-8-21(2)30(40(5)29(43)20-38-34(45)31-23-12-13-24(17-23)39(31)4)26(46-6)18-28(42)41-16-9-11-25(41)32(47-7)22(3)33(44)37-19-27-35-14-10-15-36-27/h10,14-15,21-26,30-32H,8-9,11-13,16-20H2,1-7H3,(H,37,44)(H,38,45).
What are the key properties of N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 657.86 g/mol, XLogP of 1.61, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(pyrimidin-2-ylmethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 155417990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).