2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide

C19H23ClN4O2 — CID 86672645

IUPAC2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)nc(N3CCCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C19H23ClN4O2/c1-12-8-13(2)22-19(26)15(12)11-21-18(25)14-9-16(20)23-17(10-14)24-6-4-3-5-7-24/h8-10H,3-7,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySMSHFXSVPCXPQJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 86672645) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide
PubChem CID86672645
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)nc(N3CCCCC3)c2)c(=O)[nH]1
InChIInChI=1S/C19H23ClN4O2/c1-12-8-13(2)22-19(26)15(12)11-21-18(25)14-9-16(20)23-17(10-14)24-6-4-3-5-7-24/h8-10H,3-7,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySMSHFXSVPCXPQJ-UHFFFAOYSA-N
XLogP2.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 174735332
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 27170982
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(6-pyrrolidin-1-yl-3-pyridinyl)indole-4-carboxamide
CID 54670447
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597425
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
(2S,3R)-7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 118096657
3-[(1-acetylpiperidin-4-yl)methyl-ethylamino]-5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 123217609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide (CID 86672645) is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)nc(N3CCCCC3)c2)c(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is SMSHFXSVPCXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-8-13(2)22-19(26)15(12)11-21-18(25)14-9-16(20)23-17(10-14)24-6-4-3-5-7-24/h8-10H,3-7,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide?
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 86672645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).