N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide

C17H18N4O — CID 109225300

IUPACN-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H18N4O/c1-3-12(2)20-17(22)14-8-16(11-19-10-14)21-15-6-4-13(9-18)5-7-15/h4-8,10-12,21H,3H2,1-2H3,(H,20,22)
InChIKeyAXGWDMDDSSMJHF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.23
Rot. Bonds5

About N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide

N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109225300) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
PubChem CID109225300
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H18N4O/c1-3-12(2)20-17(22)14-8-16(11-19-10-14)21-15-6-4-13(9-18)5-7-15/h4-8,10-12,21H,3H2,1-2H3,(H,20,22)
InChIKeyAXGWDMDDSSMJHF-UHFFFAOYSA-N
XLogP3.23
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide (CID 109225300) is N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is AXGWDMDDSSMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-12(2)20-17(22)14-8-16(11-19-10-14)21-15-6-4-13(9-18)5-7-15/h4-8,10-12,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide?
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).