N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide

C28H33N5O4 — CID 124994107

IUPACN-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
SMILESCc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)C2)c2cnccc2n1
InChIInChI=1S/C28H33N5O4/c1-20-16-25(23-17-29-11-9-24(23)30-20)33-13-10-28(36,19-33)18-31(2)27(35)21-5-7-22(8-6-21)37-15-14-32-12-3-4-26(32)34/h5-9,11,16-17,36H,3-4,10,12-15,18-19H2,1-2H3/t28-/m0/s1
InChIKeyQCIUJYRTIPQQSE-NDEPHWFRSA-N
MW503.60 g/mol
LogP2.65
Rot. Bonds8

About N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide

N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide (PubChem CID 124994107) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
PubChem CID124994107
Molecular FormulaC28H33N5O4
Molecular Weight503.60 g/mol
Exact Mass503.25
IUPAC NameN-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
SMILESCc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)C2)c2cnccc2n1
InChIInChI=1S/C28H33N5O4/c1-20-16-25(23-17-29-11-9-24(23)30-20)33-13-10-28(36,19-33)18-31(2)27(35)21-5-7-22(8-6-21)37-15-14-32-12-3-4-26(32)34/h5-9,11,16-17,36H,3-4,10,12-15,18-19H2,1-2H3/t28-/m0/s1
InChIKeyQCIUJYRTIPQQSE-NDEPHWFRSA-N
XLogP2.65
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 110154612
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110154607
4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110163496
4-(3-aminopropoxy)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124976596
2-[1-[2-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 124940127
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153965
3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 125026317
2-[4-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylcarbamoyl]phenoxy]acetic acid
CID 110153983
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124940960

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide (CID 124994107) is N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide is Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)C2)c2cnccc2n1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The InChIKey is QCIUJYRTIPQQSE-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-20-16-25(23-17-29-11-9-24(23)30-20)33-13-10-28(36,19-33)18-31(2)27(35)21-5-7-22(8-6-21)37-15-14-32-12-3-4-26(32)34/h5-9,11,16-17,36H,3-4,10,12-15,18-19H2,1-2H3/t28-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide has a molecular weight of 503.60 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 124994107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).