N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide

C21H29N3O — CID 109190727

IUPACN-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)N(CC)Cc2ccccc2)nc1
InChIInChI=1S/C21H29N3O/c1-4-14-24(15-5-2)19-12-13-20(22-16-19)21(25)23(6-3)17-18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,17H2,1-3H3
InChIKeyWOGKEXVADQYPCQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.37
Rot. Bonds9

About N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide

N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide (PubChem CID 109190727) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
PubChem CID109190727
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)N(CC)Cc2ccccc2)nc1
InChIInChI=1S/C21H29N3O/c1-4-14-24(15-5-2)19-12-13-20(22-16-19)21(25)23(6-3)17-18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,17H2,1-3H3
InChIKeyWOGKEXVADQYPCQ-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
CID 109306808
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide (CID 109190727) is N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide is CCCN(CCC)c1ccc(C(=O)N(CC)Cc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide?
The InChIKey is WOGKEXVADQYPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-14-24(15-5-2)19-12-13-20(22-16-19)21(25)23(6-3)17-18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,17H2,1-3H3.
What are the key properties of N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide?
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109190727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).