N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide

C22H20N2O2 — CID 58247766

IUPACN-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(CC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H20N2O2/c1-16-6-5-7-17(12-16)15-24-22(26)19-10-11-23-20(13-19)14-21(25)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyBTRHDBNFKDGPTF-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.75
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide

N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide (PubChem CID 58247766) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
PubChem CID58247766
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(CC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H20N2O2/c1-16-6-5-7-17(12-16)15-24-22(26)19-10-11-23-20(13-19)14-21(25)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyBTRHDBNFKDGPTF-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide (CID 58247766) is N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(CC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide?
The InChIKey is BTRHDBNFKDGPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-16-6-5-7-17(12-16)15-24-22(26)19-10-11-23-20(13-19)14-21(25)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide?
N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide is sourced from PubChem (CID 58247766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).