6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide

C14H22ClN3O — CID 55042068

IUPAC6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-3-5-9-18(10-6-4-2)14(19)13-11(15)7-8-12(16)17-13/h7-8H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyQZDIXILVQBZOKM-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.36
Rot. Bonds7

About 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide

6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide (PubChem CID 55042068) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
PubChem CID55042068
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-3-5-9-18(10-6-4-2)14(19)13-11(15)7-8-12(16)17-13/h7-8H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyQZDIXILVQBZOKM-UHFFFAOYSA-N
XLogP3.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613
N-butyl-3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60742726
6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 55042057
6-amino-3-chloro-N-ethyl-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62153910
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186
6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154764
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041
6-amino-3-chloro-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62186020
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide?
The IUPAC name of 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide (CID 55042068) is 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide?
The canonical SMILES for 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide is CCCCN(CCCC)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide?
The InChIKey is QZDIXILVQBZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-9-18(10-6-4-2)14(19)13-11(15)7-8-12(16)17-13/h7-8H,3-6,9-10H2,1-2H3,(H2,16,17).
What are the key properties of 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide?
6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 55042068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).