N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

C18H21N3O — CID 109223659

IUPACN-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H21N3O/c1-12(2)16-5-3-4-6-17(16)20-15-9-13(10-19-11-15)18(22)21-14-7-8-14/h3-6,9-12,14,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyJTAMXDKELUHZEX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.84
Rot. Bonds5

About N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109223659) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109223659
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H21N3O/c1-12(2)16-5-3-4-6-17(16)20-15-9-13(10-19-11-15)18(22)21-14-7-8-14/h3-6,9-12,14,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyJTAMXDKELUHZEX-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742
N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226755
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109223741
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109223659) is N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccccc1Nc1cncc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is JTAMXDKELUHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)16-5-3-4-6-17(16)20-15-9-13(10-19-11-15)18(22)21-14-7-8-14/h3-6,9-12,14,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109223659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).