2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide

C24H22N4O — CID 109171613

IUPAC2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)22-16-20(13-15-25-22)24(29)27-21-12-6-10-19-11-7-14-26-23(19)21/h3-16H,2,17H2,1H3,(H,27,29)
InChIKeyMYQPWHRVJYDMBC-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.91
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide

2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide (PubChem CID 109171613) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
PubChem CID109171613
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)22-16-20(13-15-25-22)24(29)27-21-12-6-10-19-11-7-14-26-23(19)21/h3-16H,2,17H2,1H3,(H,27,29)
InChIKeyMYQPWHRVJYDMBC-UHFFFAOYSA-N
XLogP4.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171589
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109174892
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide (CID 109171613) is 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc3cccnc23)ccn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide?
The InChIKey is MYQPWHRVJYDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-28(17-18-8-4-3-5-9-18)22-16-20(13-15-25-22)24(29)27-21-12-6-10-19-11-7-14-26-23(19)21/h3-16H,2,17H2,1H3,(H,27,29).
What are the key properties of 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide is sourced from PubChem (CID 109171613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).