6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide

C14H22ClN3O — CID 55042069

IUPAC6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-3-5-7-18(8-6-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyQRTQVTWVQSUZRI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.36
Rot. Bonds7

About 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide

6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide (PubChem CID 55042069) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
PubChem CID55042069
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-3-5-7-18(8-6-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyQRTQVTWVQSUZRI-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-N-butyl-5-chloro-N-ethylpyridine-3-carboxamide
CID 55043625
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 62185664
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 71036305
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide (CID 55042069) is 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide is CCCCN(CCCC)C(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide?
The InChIKey is QRTQVTWVQSUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-7-18(8-6-4-2)14(19)11-9-12(15)13(16)17-10-11/h9-10H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of 6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide?
6-amino-N,N-dibutyl-5-chloropyridine-3-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-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 55042069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).