3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide

C17H19N3O — CID 71977787

IUPAC3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide
SMILESCc1ccccc1CC1CN(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)9-14-11-20(12-14)17(21)19-16-7-4-8-18-10-16/h2-8,10,14H,9,11-12H2,1H3,(H,19,21)
InChIKeyHRYPPNGOMNZABP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds3

About 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide

3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 71977787) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide
PubChem CID71977787
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide
SMILESCc1ccccc1CC1CN(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)9-14-11-20(12-14)17(21)19-16-7-4-8-18-10-16/h2-8,10,14H,9,11-12H2,1H3,(H,19,21)
InChIKeyHRYPPNGOMNZABP-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 129400802
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
6-[(2-methylphenyl)methyl]-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 131654480
3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide
CID 97012974
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
4-amino-2,2,6,6-tetramethyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 108864979
1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311465

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide (CID 71977787) is 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide is Cc1ccccc1CC1CN(C(=O)Nc2cccnc2)C1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is HRYPPNGOMNZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)9-14-11-20(12-14)17(21)19-16-7-4-8-18-10-16/h2-8,10,14H,9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide?
3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-N-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 71977787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).