N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide

C15H23ClN2O — CID 81224997

IUPACN,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-4-6-8-18(9-7-5-2)15(19)13-11-17-12(3)10-14(13)16/h10-11H,4-9H2,1-3H3
InChIKeyHCQKOKBPWDZZRR-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.09
Rot. Bonds7

About N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide

N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81224997) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81224997
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-4-6-8-18(9-7-5-2)15(19)13-11-17-12(3)10-14(13)16/h10-11H,4-9H2,1-3H3
InChIKeyHCQKOKBPWDZZRR-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 102978950
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226727
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide (CID 81224997) is N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide is CCCCN(CCCC)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is HCQKOKBPWDZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-6-8-18(9-7-5-2)15(19)13-11-17-12(3)10-14(13)16/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide?
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 282.81 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81224997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).