N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide

C19H24ClN3O — CID 50952301

IUPACN-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
SMILESCCCN(Cc1cccc(Cl)c1)C(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C19H24ClN3O/c1-3-10-23(14-16-6-4-8-18(20)11-16)19(24)15-22(2)13-17-7-5-9-21-12-17/h4-9,11-12H,3,10,13-15H2,1-2H3
InChIKeyYRNIPMHVLMQSPQ-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.61
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide

N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide (PubChem CID 50952301) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
PubChem CID50952301
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
SMILESCCCN(Cc1cccc(Cl)c1)C(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C19H24ClN3O/c1-3-10-23(14-16-6-4-8-18(20)11-16)19(24)15-22(2)13-17-7-5-9-21-12-17/h4-9,11-12H,3,10,13-15H2,1-2H3
InChIKeyYRNIPMHVLMQSPQ-UHFFFAOYSA-N
XLogP3.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 50970042
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide (CID 50952301) is N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide is CCCN(Cc1cccc(Cl)c1)C(=O)CN(C)Cc1cccnc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide?
The InChIKey is YRNIPMHVLMQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-10-23(14-16-6-4-8-18(20)11-16)19(24)15-22(2)13-17-7-5-9-21-12-17/h4-9,11-12H,3,10,13-15H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide?
N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide has a molecular weight of 345.87 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide is sourced from PubChem (CID 50952301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).