6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide

C23H21N5O2 — CID 109164747

IUPAC6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cn2)cc1
InChIInChI=1S/C23H21N5O2/c24-15-17-5-8-19(9-6-17)26-22-10-7-18(16-25-22)23(29)27-20-3-1-2-4-21(20)28-11-13-30-14-12-28/h1-10,16H,11-14H2,(H,25,26)(H,27,29)
InChIKeyTWTJLVKXPIXSOI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.79
Rot. Bonds5

About 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide

6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 109164747) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID109164747
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cn2)cc1
InChIInChI=1S/C23H21N5O2/c24-15-17-5-8-19(9-6-17)26-22-10-7-18(16-25-22)23(29)27-20-3-1-2-4-21(20)28-11-13-30-14-12-28/h1-10,16H,11-14H2,(H,25,26)(H,27,29)
InChIKeyTWTJLVKXPIXSOI-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

N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(4-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108969937
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109152097
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide (CID 109164747) is 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cn2)cc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is TWTJLVKXPIXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-15-17-5-8-19(9-6-17)26-22-10-7-18(16-25-22)23(29)27-20-3-1-2-4-21(20)28-11-13-30-14-12-28/h1-10,16H,11-14H2,(H,25,26)(H,27,29).
What are the key properties of 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-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 6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).