N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide

C22H15N5O — CID 109246222

IUPACN-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)c1
InChIInChI=1S/C22H15N5O/c23-12-15-4-1-7-18(10-15)27-22(28)17-11-19(14-24-13-17)26-20-8-2-5-16-6-3-9-25-21(16)20/h1-11,13-14,26H,(H,27,28)
InChIKeyCRVSDIMNDXVXNE-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.50
Rot. Bonds4

About N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide

N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide (PubChem CID 109246222) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
PubChem CID109246222
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC NameN-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)c1
InChIInChI=1S/C22H15N5O/c23-12-15-4-1-7-18(10-15)27-22(28)17-11-19(14-24-13-17)26-20-8-2-5-16-6-3-9-25-21(16)20/h1-11,13-14,26H,(H,27,28)
InChIKeyCRVSDIMNDXVXNE-UHFFFAOYSA-N
XLogP4.50
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
CID 109246320
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200767
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide (CID 109246222) is N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cncc(Nc3cccc4cccnc34)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
The InChIKey is CRVSDIMNDXVXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c23-12-15-4-1-7-18(10-15)27-22(28)17-11-19(14-24-13-17)26-20-8-2-5-16-6-3-9-25-21(16)20/h1-11,13-14,26H,(H,27,28).
What are the key properties of N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).