N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C20H25N3O4 — CID 52506923

IUPACN-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C20H25N3O4/c1-13(2)18(23-19(24)16-4-3-9-26-16)20(25)22-11-15-7-8-17(21-10-15)27-12-14-5-6-14/h3-4,7-10,13-14,18H,5-6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXCDAOJIAWWYWPK-SFHVURJKSA-N
MW371.44 g/mol
LogP2.53
Rot. Bonds9

About N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 52506923) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID52506923
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C20H25N3O4/c1-13(2)18(23-19(24)16-4-3-9-26-16)20(25)22-11-15-7-8-17(21-10-15)27-12-14-5-6-14/h3-4,7-10,13-14,18H,5-6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyXCDAOJIAWWYWPK-SFHVURJKSA-N
XLogP2.53
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166723
N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
CID 46478211
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 51491143
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51102664
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 95781275
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 52506923) is N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is XCDAOJIAWWYWPK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)18(23-19(24)16-4-3-9-26-16)20(25)22-11-15-7-8-17(21-10-15)27-12-14-5-6-14/h3-4,7-10,13-14,18H,5-6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 52506923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).