N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide

C18H18N4O — CID 109201456

IUPACN-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C18H18N4O/c1-12(2)21-18(23)16-11-14(8-10-19-16)22-15-7-3-5-13-6-4-9-20-17(13)15/h3-12H,1-2H3,(H,19,22)(H,21,23)
InChIKeyNJUYATSYXDZWRX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.51
Rot. Bonds4

About N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide

N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109201456) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109201456
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C18H18N4O/c1-12(2)21-18(23)16-11-14(8-10-19-16)22-15-7-3-5-13-6-4-9-20-17(13)15/h3-12H,1-2H3,(H,19,22)(H,21,23)
InChIKeyNJUYATSYXDZWRX-UHFFFAOYSA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201470
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221140
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112851683
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109201456) is N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is CC(C)NC(=O)c1cc(Nc2cccc3cccnc23)ccn1.
What is the InChIKey of N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is NJUYATSYXDZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12(2)21-18(23)16-11-14(8-10-19-16)22-15-7-3-5-13-6-4-9-20-17(13)15/h3-12H,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).