4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

C18H21N3O — CID 109201983

IUPAC4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(NC3CC3)ccn2)cc1
InChIInChI=1S/C18H21N3O/c1-12(2)13-3-5-15(6-4-13)21-18(22)17-11-16(9-10-19-17)20-14-7-8-14/h3-6,9-12,14H,7-8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIPBLTVQJPVURHF-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.03
Rot. Bonds5

About 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109201983) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109201983
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(NC3CC3)ccn2)cc1
InChIInChI=1S/C18H21N3O/c1-12(2)13-3-5-15(6-4-13)21-18(22)17-11-16(9-10-19-17)20-14-7-8-14/h3-6,9-12,14H,7-8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIPBLTVQJPVURHF-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109201983) is 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc(NC3CC3)ccn2)cc1.
What is the InChIKey of 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is IPBLTVQJPVURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)13-3-5-15(6-4-13)21-18(22)17-11-16(9-10-19-17)20-14-7-8-14/h3-6,9-12,14H,7-8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109201983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).