3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C17H16N4O2 — CID 18143195

IUPAC3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H16N4O2/c18-11-13-2-1-3-14(10-13)17(22)20-15-4-5-16(19-12-15)21-6-8-23-9-7-21/h1-5,10,12H,6-9H2,(H,20,22)
InChIKeyGPVPUCRFNDTZFX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.04
Rot. Bonds3

About 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 18143195) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID18143195
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H16N4O2/c18-11-13-2-1-3-14(10-13)17(22)20-15-4-5-16(19-12-15)21-6-8-23-9-7-21/h1-5,10,12H,6-9H2,(H,20,22)
InChIKeyGPVPUCRFNDTZFX-UHFFFAOYSA-N
XLogP2.04
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
CID 78151055
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
2-(4-cyanophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17457103
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 18143195) is 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is N#Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is GPVPUCRFNDTZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-11-13-2-1-3-14(10-13)17(22)20-15-4-5-16(19-12-15)21-6-8-23-9-7-21/h1-5,10,12H,6-9H2,(H,20,22).
What are the key properties of 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 18143195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).