N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide

C21H17N5O2 — CID 109164577

IUPACN-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-7-9-19(10-8-17)26-21(28)16-4-11-20(23-13-16)25-18-5-2-15(12-22)3-6-18/h2-11,13H,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyLWPJORXHDUIRBH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109164577) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
PubChem CID109164577
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-7-9-19(10-8-17)26-21(28)16-4-11-20(23-13-16)25-18-5-2-15(12-22)3-6-18/h2-11,13H,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyLWPJORXHDUIRBH-UHFFFAOYSA-N
XLogP3.91
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
4-bromo-N-[6-(4-cyanoanilino)-3-pyridinyl]benzamide
CID 113022865
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
6-(5-chloro-2-methylanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163592
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide (CID 109164577) is N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is LWPJORXHDUIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-17-7-9-19(10-8-17)26-21(28)16-4-11-20(23-13-16)25-18-5-2-15(12-22)3-6-18/h2-11,13H,1H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109164577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).