4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C18H17N3O2 — CID 126429778

IUPAC4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H17N3O2/c19-11-15-3-1-5-17(21-15)13-6-8-14(9-7-13)18(22)20-12-16-4-2-10-23-16/h1,3,5-9,16H,2,4,10,12H2,(H,20,22)/t16-/m1/s1
InChIKeyRNDJATMLPMRWGK-MRXNPFEDSA-N
MW307.35 g/mol
LogP2.53
Rot. Bonds4

About 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 126429778) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID126429778
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H17N3O2/c19-11-15-3-1-5-17(21-15)13-6-8-14(9-7-13)18(22)20-12-16-4-2-10-23-16/h1,3,5-9,16H,2,4,10,12H2,(H,20,22)/t16-/m1/s1
InChIKeyRNDJATMLPMRWGK-MRXNPFEDSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97429668
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 126429778) is 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is N#Cc1cccc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1.
What is the InChIKey of 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is RNDJATMLPMRWGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-15-3-1-5-17(21-15)13-6-8-14(9-7-13)18(22)20-12-16-4-2-10-23-16/h1,3,5-9,16H,2,4,10,12H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126429778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).