6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C20H25ClN4O2 — CID 22262625

IUPAC6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)c1
InChIInChI=1S/C20H25ClN4O2/c1-13-3-2-4-15(9-13)12-25-7-5-14(6-8-25)11-23-19(26)16-10-17(21)18(22)24-20(16)27/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyWVTHNTCRLZWMDB-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.56
Rot. Bonds5

About 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 22262625) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID22262625
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)c1
InChIInChI=1S/C20H25ClN4O2/c1-13-3-2-4-15(9-13)12-25-7-5-14(6-8-25)11-23-19(26)16-10-17(21)18(22)24-20(16)27/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyWVTHNTCRLZWMDB-UHFFFAOYSA-N
XLogP2.56
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
6-amino-5-chloro-2-oxo-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 22262678
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-4-methylbenzene
CID 70038123
6-amino-5-chloro-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-3,5-dimethylbenzene
CID 70035871
6-amino-5-chloro-N-[[1-[[3-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262639
6-amino-5-chloro-N-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262634
2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 22262647
tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 70036260
6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70037533
6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one
CID 70037499
6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
CID 70036353
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 22262625) is 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)c1.
What is the InChIKey of 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WVTHNTCRLZWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-3-2-4-15(9-13)12-25-7-5-14(6-8-25)11-23-19(26)16-10-17(21)18(22)24-20(16)27/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,23,26)(H3,22,24,27).
What are the key properties of 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 22262625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).