2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide

C18H20N2O — CID 110613046

IUPAC2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1cccnc1)c1ccccc1)C1CC1
InChIInChI=1S/C18H20N2O/c1-14(16-9-10-16)18(21)20(17-7-3-2-4-8-17)13-15-6-5-11-19-12-15/h2-8,11-12,14,16H,9-10,13H2,1H3
InChIKeyIHXRIHZGWZSWLF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds5

About 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide

2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110613046) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110613046
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1cccnc1)c1ccccc1)C1CC1
InChIInChI=1S/C18H20N2O/c1-14(16-9-10-16)18(21)20(17-7-3-2-4-8-17)13-15-6-5-11-19-12-15/h2-8,11-12,14,16H,9-10,13H2,1H3
InChIKeyIHXRIHZGWZSWLF-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110426401
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
CID 83150108
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
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1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 110613046) is 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)N(Cc1cccnc1)c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IHXRIHZGWZSWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(16-9-10-16)18(21)20(17-7-3-2-4-8-17)13-15-6-5-11-19-12-15/h2-8,11-12,14,16H,9-10,13H2,1H3.
What are the key properties of 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110613046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).