4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide

C19H22N2O2 — CID 126444759

IUPAC4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
SMILESCc1ccnc(-c2ccc(C(=O)NC[C@@H]3CCCOC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-8-9-20-18(11-14)16-4-6-17(7-5-16)19(22)21-12-15-3-2-10-23-13-15/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyTWHCDNCVXRXMJS-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.21
Rot. Bonds4

About 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide

4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide (PubChem CID 126444759) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
PubChem CID126444759
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
SMILESCc1ccnc(-c2ccc(C(=O)NC[C@@H]3CCCOC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-14-8-9-20-18(11-14)16-4-6-17(7-5-16)19(22)21-12-15-3-2-10-23-13-15/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyTWHCDNCVXRXMJS-HNNXBMFYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 119067967
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
4-(3,4-difluoro-5-hydroxyphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126429664
4-(2-methylsulfanylphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126439334
1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 126445963
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide?
The IUPAC name of 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide (CID 126444759) is 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide is Cc1ccnc(-c2ccc(C(=O)NC[C@@H]3CCCOC3)cc2)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide?
The InChIKey is TWHCDNCVXRXMJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-9-20-18(11-14)16-4-6-17(7-5-16)19(22)21-12-15-3-2-10-23-13-15/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide?
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide is sourced from PubChem (CID 126444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).