N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C19H22ClN3O — CID 118787947

IUPACN-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1cccnc1
InChIInChI=1S/C19H22ClN3O/c1-23(13-15-4-2-11-21-12-15)14-18(24)22-19(9-3-10-19)16-5-7-17(20)8-6-16/h2,4-8,11-12H,3,9-10,13-14H2,1H3,(H,22,24)
InChIKeyVJWWKRFDAPSNLM-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.36
Rot. Bonds6

About N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 118787947) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID118787947
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1cccnc1
InChIInChI=1S/C19H22ClN3O/c1-23(13-15-4-2-11-21-12-15)14-18(24)22-19(9-3-10-19)16-5-7-17(20)8-6-16/h2,4-8,11-12H,3,9-10,13-14H2,1H3,(H,22,24)
InChIKeyVJWWKRFDAPSNLM-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 124941960
1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 95554855
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
CID 50952301

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 118787947) is N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(CC(=O)NC1(c2ccc(Cl)cc2)CCC1)Cc1cccnc1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is VJWWKRFDAPSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-23(13-15-4-2-11-21-12-15)14-18(24)22-19(9-3-10-19)16-5-7-17(20)8-6-16/h2,4-8,11-12H,3,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 118787947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).