N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide

C21H24N4O3 — CID 58845419

IUPACN-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESN[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H24N4O3/c22-17-10-12-24(21(28)15-4-5-15)13-18(17)23-20(27)14-6-8-16(9-7-14)25-11-2-1-3-19(25)26/h1-3,6-9,11,15,17-18H,4-5,10,12-13,22H2,(H,23,27)/t17-,18+/m1/s1
InChIKeyBNCNSDUCIOZZGG-MSOLQXFVSA-N
MW380.45 g/mol
LogP0.91
Rot. Bonds4

About N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide

N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 58845419) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID58845419
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESN[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H24N4O3/c22-17-10-12-24(21(28)15-4-5-15)13-18(17)23-20(27)14-6-8-16(9-7-14)25-11-2-1-3-19(25)26/h1-3,6-9,11,15,17-18H,4-5,10,12-13,22H2,(H,23,27)/t17-,18+/m1/s1
InChIKeyBNCNSDUCIOZZGG-MSOLQXFVSA-N
XLogP0.91
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide with MolForge

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Related Compounds

tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 69437324
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 67307371
N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 58845376
N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 69146777
3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
N-(4-amino-1-methyl-5-oxopyrrolidin-3-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69442634
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69173385
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide (CID 58845419) is N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide is N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is BNCNSDUCIOZZGG-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-17-10-12-24(21(28)15-4-5-15)13-18(17)23-20(27)14-6-8-16(9-7-14)25-11-2-1-3-19(25)26/h1-3,6-9,11,15,17-18H,4-5,10,12-13,22H2,(H,23,27)/t17-,18+/m1/s1.
What are the key properties of N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 380.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 58845419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).