6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide

C16H25ClN2O — CID 62234181

IUPAC6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H25ClN2O/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(17)18-14/h5-7,12-13H,8-11H2,1-4H3
InChIKeyFAMSPVWKHVTSCV-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.27
Rot. Bonds7

About 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide

6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 62234181) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
PubChem CID62234181
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H25ClN2O/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(17)18-14/h5-7,12-13H,8-11H2,1-4H3
InChIKeyFAMSPVWKHVTSCV-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 115772722
4-methylpentyl 6-chloropyridine-2-carboxylate
CID 63841499
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 62232755
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 55052683
(6-chloro-2-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 62233300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide (CID 62234181) is 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is FAMSPVWKHVTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(17)18-14/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide?
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 296.84 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).