N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide

C15H21N3O3 — CID 94815523

IUPACN-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@H]1CCCN(C(=O)CCNC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H21N3O3/c1-11-4-3-9-18(10-11)13(19)6-8-17-15(21)12-5-2-7-16-14(12)20/h2,5,7,11H,3-4,6,8-10H2,1H3,(H,16,20)(H,17,21)/t11-/m0/s1
InChIKeyDWMTYKWSEAEQSB-NSHDSACASA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds4

About N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 94815523) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID94815523
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@H]1CCCN(C(=O)CCNC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H21N3O3/c1-11-4-3-9-18(10-11)13(19)6-8-17-15(21)12-5-2-7-16-14(12)20/h2,5,7,11H,3-4,6,8-10H2,1H3,(H,16,20)(H,17,21)/t11-/m0/s1
InChIKeyDWMTYKWSEAEQSB-NSHDSACASA-N
XLogP0.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4878205
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
N-[3-[(3S)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 52520619
N-[3-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 124815650
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
CID 52513385
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110996255
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide (CID 94815523) is N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DWMTYKWSEAEQSB-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-3-9-18(10-11)13(19)6-8-17-15(21)12-5-2-7-16-14(12)20/h2,5,7,11H,3-4,6,8-10H2,1H3,(H,16,20)(H,17,21)/t11-/m0/s1.
What are the key properties of N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94815523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).