N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide

C19H22N2O2 — CID 125163176

IUPACN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
SMILESCc1cccnc1[C@@H](NC(=O)CCOc1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O2/c1-14-6-5-12-20-18(14)19(15-9-10-15)21-17(22)11-13-23-16-7-3-2-4-8-16/h2-8,12,15,19H,9-11,13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyUFLDYSYLINRIHO-IBGZPJMESA-N
MW310.40 g/mol
LogP3.43
Rot. Bonds7

About N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide

N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide (PubChem CID 125163176) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
PubChem CID125163176
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
SMILESCc1cccnc1[C@@H](NC(=O)CCOc1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O2/c1-14-6-5-12-20-18(14)19(15-9-10-15)21-17(22)11-13-23-16-7-3-2-4-8-16/h2-8,12,15,19H,9-11,13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyUFLDYSYLINRIHO-IBGZPJMESA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
CID 125160409
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 122569055
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
CID 95292067
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 119061888

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide (CID 125163176) is N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide is Cc1cccnc1[C@@H](NC(=O)CCOc1ccccc1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide?
The InChIKey is UFLDYSYLINRIHO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-5-12-20-18(14)19(15-9-10-15)21-17(22)11-13-23-16-7-3-2-4-8-16/h2-8,12,15,19H,9-11,13H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide?
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 125163176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).