3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide

C18H19N3O3 — CID 126449084

IUPAC3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide
SMILESCc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H](O)CO)c2)n1
InChIInChI=1S/C18H19N3O3/c1-11-6-12(2)21-17(16(11)8-19)13-4-3-5-14(7-13)18(24)20-9-15(23)10-22/h3-7,15,22-23H,9-10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyJDBGYQGLPPJHFZ-OAHLLOKOSA-N
MW325.37 g/mol
LogP1.32
Rot. Bonds5

About 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide

3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide (PubChem CID 126449084) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide
PubChem CID126449084
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide
SMILESCc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H](O)CO)c2)n1
InChIInChI=1S/C18H19N3O3/c1-11-6-12(2)21-17(16(11)8-19)13-4-3-5-14(7-13)18(24)20-9-15(23)10-22/h3-7,15,22-23H,9-10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyJDBGYQGLPPJHFZ-OAHLLOKOSA-N
XLogP1.32
TPSA106.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483025
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide
CID 169418400
N-[(1R)-1-[3-[3-[[(2R)-2,3-dihydroxypropyl]carbamoyl]phenyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 172511816
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The IUPAC name of 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide (CID 126449084) is 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide.
What is the SMILES notation for 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The canonical SMILES for 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide is Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H](O)CO)c2)n1.
What is the InChIKey of 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide?
The InChIKey is JDBGYQGLPPJHFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-6-12(2)21-17(16(11)8-19)13-4-3-5-14(7-13)18(24)20-9-15(23)10-22/h3-7,15,22-23H,9-10H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide?
3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide is sourced from PubChem (CID 126449084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).