3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide

C19H21ClN2O — CID 118787329

IUPAC3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(C(NC(=O)CCc2ccccc2Cl)C2CC2)n1
InChIInChI=1S/C19H21ClN2O/c1-13-5-4-8-17(21-13)19(15-9-10-15)22-18(23)12-11-14-6-2-3-7-16(14)20/h2-8,15,19H,9-12H2,1H3,(H,22,23)
InChIKeyWZHDVWCXLLJRTK-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide

3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 118787329) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID118787329
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(C(NC(=O)CCc2ccccc2Cl)C2CC2)n1
InChIInChI=1S/C19H21ClN2O/c1-13-5-4-8-17(21-13)19(15-9-10-15)22-18(23)12-11-14-6-2-3-7-16(14)20/h2-8,15,19H,9-12H2,1H3,(H,22,23)
InChIKeyWZHDVWCXLLJRTK-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
CID 91833208
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 125159205
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 118772090
3-(2-aminophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613359
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 97195530

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide (CID 118787329) is 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide is Cc1cccc(C(NC(=O)CCc2ccccc2Cl)C2CC2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is WZHDVWCXLLJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-5-4-8-17(21-13)19(15-9-10-15)22-18(23)12-11-14-6-2-3-7-16(14)20/h2-8,15,19H,9-12H2,1H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide?
3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 328.84 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 118787329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).