N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide

C17H18N4O — CID 109195159

IUPACN-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H18N4O/c1-17(2,3)21-16(22)15-9-8-13(11-19-15)20-14-7-5-4-6-12(14)10-18/h4-9,11,20H,1-3H3,(H,21,22)
InChIKeyNQNFKBXASWISCE-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.23
Rot. Bonds3

About N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide

N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109195159) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
PubChem CID109195159
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H18N4O/c1-17(2,3)21-16(22)15-9-8-13(11-19-15)20-14-7-5-4-6-12(14)10-18/h4-9,11,20H,1-3H3,(H,21,22)
InChIKeyNQNFKBXASWISCE-UHFFFAOYSA-N
XLogP3.23
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide (CID 109195159) is N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(Nc2ccccc2C#N)cn1.
What is the InChIKey of N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is NQNFKBXASWISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,3)21-16(22)15-9-8-13(11-19-15)20-14-7-5-4-6-12(14)10-18/h4-9,11,20H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide?
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).