4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

C23H21N5O2 — CID 109222404

IUPAC4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)c1
InChIInChI=1S/C23H21N5O2/c24-16-17-4-3-5-18(14-17)26-19-8-9-25-21(15-19)23(29)27-20-6-1-2-7-22(20)28-10-12-30-13-11-28/h1-9,14-15H,10-13H2,(H,25,26)(H,27,29)
InChIKeyVUVGISKQWBHAPD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.79
Rot. Bonds5

About 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 109222404) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID109222404
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)c1
InChIInChI=1S/C23H21N5O2/c24-16-17-4-3-5-18(14-17)26-19-8-9-25-21(15-19)23(29)27-20-6-1-2-7-22(20)28-10-12-30-13-11-28/h1-9,14-15H,10-13H2,(H,25,26)(H,27,29)
InChIKeyVUVGISKQWBHAPD-UHFFFAOYSA-N
XLogP3.79
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109164747
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (CID 109222404) is 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is N#Cc1cccc(Nc2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)c1.
What is the InChIKey of 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is VUVGISKQWBHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-16-17-4-3-5-18(14-17)26-19-8-9-25-21(15-19)23(29)27-20-6-1-2-7-22(20)28-10-12-30-13-11-28/h1-9,14-15H,10-13H2,(H,25,26)(H,27,29).
What are the key properties of 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).