N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide

C24H22N4O — CID 109234803

IUPACN-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)24(29)20-14-21(16-25-15-20)27-22-12-6-10-19-11-7-13-26-23(19)22/h3-16,27H,2,17H2,1H3
InChIKeyNCJYFVDIWWFDAD-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.04
Rot. Bonds6

About N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide

N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide (PubChem CID 109234803) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
PubChem CID109234803
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2cccc3cccnc23)c1
InChIInChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)24(29)20-14-21(16-25-15-20)27-22-12-6-10-19-11-7-13-26-23(19)22/h3-16,27H,2,17H2,1H3
InChIKeyNCJYFVDIWWFDAD-UHFFFAOYSA-N
XLogP5.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide (CID 109234803) is N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(Nc2cccc3cccnc23)c1.
What is the InChIKey of N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The InChIKey is NCJYFVDIWWFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)24(29)20-14-21(16-25-15-20)27-22-12-6-10-19-11-7-13-26-23(19)22/h3-16,27H,2,17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109234803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).