4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide

C19H19N3O2 — CID 119064776

IUPAC4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C19H19N3O2/c20-12-17-2-1-9-21-18(17)15-3-5-16(6-4-15)19(23)22-13-14-7-10-24-11-8-14/h1-6,9,14H,7-8,10-11,13H2,(H,22,23)
InChIKeyKKDQTVJKSTZHAZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.78
Rot. Bonds4

About 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide

4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide (PubChem CID 119064776) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
PubChem CID119064776
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C19H19N3O2/c20-12-17-2-1-9-21-18(17)15-3-5-16(6-4-15)19(23)22-13-14-7-10-24-11-8-14/h1-6,9,14H,7-8,10-11,13H2,(H,22,23)
InChIKeyKKDQTVJKSTZHAZ-UHFFFAOYSA-N
XLogP2.78
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118760932
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91625401

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide (CID 119064776) is 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide is N#Cc1cccnc1-c1ccc(C(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is KKDQTVJKSTZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-12-17-2-1-9-21-18(17)15-3-5-16(6-4-15)19(23)22-13-14-7-10-24-11-8-14/h1-6,9,14H,7-8,10-11,13H2,(H,22,23).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide?
4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 119064776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).