4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C18H21N3O2 — CID 78859603

IUPAC4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C18H21N3O2/c1-11-9-12(2)20-13(3)17(11)21-18(23)16-7-5-15(6-8-16)10-19-14(4)22/h5-9H,10H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyYYCWQCDXNZRVON-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.90
Rot. Bonds4

About 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78859603) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78859603
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C18H21N3O2/c1-11-9-12(2)20-13(3)17(11)21-18(23)16-7-5-15(6-8-16)10-19-14(4)22/h5-9H,10H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyYYCWQCDXNZRVON-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838373
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
CID 17439157
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
[1-[4-[[4-(acetamidomethyl)benzoyl]amino]-3-ethyl-5-methylphenyl]-1,2,2-trifluoropropyl]-trifluoroazanium
CID 123288950
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78859603) is 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is YYCWQCDXNZRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-9-12(2)20-13(3)17(11)21-18(23)16-7-5-15(6-8-16)10-19-14(4)22/h5-9H,10H2,1-4H3,(H,19,22)(H,21,23).
What are the key properties of 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78859603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).