N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide

C16H15Cl2N3O — CID 172896052

IUPACN-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN1Cc1ccccn1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-4-11(9-14(13)18)20-16(22)15-6-8-21(15)10-12-3-1-2-7-19-12/h1-5,7,9,15H,6,8,10H2,(H,20,22)
InChIKeyWNVQBYHSYQRSRI-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.60
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide (PubChem CID 172896052) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide
PubChem CID172896052
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN1Cc1ccccn1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-4-11(9-14(13)18)20-16(22)15-6-8-21(15)10-12-3-1-2-7-19-12/h1-5,7,9,15H,6,8,10H2,(H,20,22)
InChIKeyWNVQBYHSYQRSRI-UHFFFAOYSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
N-(3,4-dichlorophenyl)-4-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11698340
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136942
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
N'-(3-chloro-4-fluorophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887200
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154798530

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide (CID 172896052) is N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN1Cc1ccccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide?
The InChIKey is WNVQBYHSYQRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-13-5-4-11(9-14(13)18)20-16(22)15-6-8-21(15)10-12-3-1-2-7-19-12/h1-5,7,9,15H,6,8,10H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(pyridin-2-ylmethyl)azetidine-2-carboxamide is sourced from PubChem (CID 172896052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).