2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide

C15H24ClN3O — CID 61248888

IUPAC2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cccnc1Cl)N(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-11(6-2)13(19(3)4)10-18-15(20)12-8-7-9-17-14(12)16/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,20)
InChIKeySSVSJINYNYPRDN-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.83
Rot. Bonds7

About 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide

2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide (PubChem CID 61248888) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
PubChem CID61248888
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cccnc1Cl)N(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-11(6-2)13(19(3)4)10-18-15(20)12-8-7-9-17-14(12)16/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,20)
InChIKeySSVSJINYNYPRDN-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide (CID 61248888) is 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide is CCC(CC)C(CNC(=O)c1cccnc1Cl)N(C)C.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide?
The InChIKey is SSVSJINYNYPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-11(6-2)13(19(3)4)10-18-15(20)12-8-7-9-17-14(12)16/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 61248888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).