3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide

C21H23N3O3 — CID 122567374

IUPAC3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1nc(C)c(-c2cccc(C(=O)NCC3CCCO3)c2)c(C)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13-18(11-22)21(26-3)24-14(2)19(13)15-6-4-7-16(10-15)20(25)23-12-17-8-5-9-27-17/h4,6-7,10,17H,5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyXPTMVWIBYUTHSM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds5

About 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide

3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 122567374) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID122567374
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1nc(C)c(-c2cccc(C(=O)NCC3CCCO3)c2)c(C)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13-18(11-22)21(26-3)24-14(2)19(13)15-6-4-7-16(10-15)20(25)23-12-17-8-5-9-27-17/h4,6-7,10,17H,5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyXPTMVWIBYUTHSM-UHFFFAOYSA-N
XLogP3.15
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126429778

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide (CID 122567374) is 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide is COc1nc(C)c(-c2cccc(C(=O)NCC3CCCO3)c2)c(C)c1C#N.
What is the InChIKey of 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is XPTMVWIBYUTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-18(11-22)21(26-3)24-14(2)19(13)15-6-4-7-16(10-15)20(25)23-12-17-8-5-9-27-17/h4,6-7,10,17H,5,8-9,12H2,1-3H3,(H,23,25).
What are the key properties of 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide?
3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 122567374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).