3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

C18H18N4O2 — CID 32584541

IUPAC3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H18N4O2/c19-12-14-2-1-3-16(10-14)18(23)21-13-15-4-5-20-17(11-15)22-6-8-24-9-7-22/h1-5,10-11H,6-9,13H2,(H,21,23)
InChIKeyLMTRGSRISJXTEV-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.72
Rot. Bonds4

About 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 32584541) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID32584541
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H18N4O2/c19-12-14-2-1-3-16(10-14)18(23)21-13-15-4-5-20-17(11-15)22-6-8-24-9-7-22/h1-5,10-11H,6-9,13H2,(H,21,23)
InChIKeyLMTRGSRISJXTEV-UHFFFAOYSA-N
XLogP1.72
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 110405088
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 32586377
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (CID 32584541) is 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is N#Cc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is LMTRGSRISJXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-12-14-2-1-3-16(10-14)18(23)21-13-15-4-5-20-17(11-15)22-6-8-24-9-7-22/h1-5,10-11H,6-9,13H2,(H,21,23).
What are the key properties of 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 32584541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).