N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide

C20H22N4O — CID 109196007

IUPACN-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C20H22N4O/c1-3-4-13-24(2)20(25)18-11-10-16(14-22-18)23-17-9-5-7-15-8-6-12-21-19(15)17/h5-12,14,23H,3-4,13H2,1-2H3
InChIKeyOFLVQUPRAMHIOB-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.25
Rot. Bonds6

About N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide

N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109196007) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109196007
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C20H22N4O/c1-3-4-13-24(2)20(25)18-11-10-16(14-22-18)23-17-9-5-7-15-8-6-12-21-19(15)17/h5-12,14,23H,3-4,13H2,1-2H3
InChIKeyOFLVQUPRAMHIOB-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109195986
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200554
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109196007) is N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2cccc3cccnc23)cn1.
What is the InChIKey of N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is OFLVQUPRAMHIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-4-13-24(2)20(25)18-11-10-16(14-22-18)23-17-9-5-7-15-8-6-12-21-19(15)17/h5-12,14,23H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109196007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).