N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide

C18H18N2O2 — CID 72946592

IUPACN-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc([C@H]2C[C@H]2CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H18N2O2/c1-12(21)13-5-7-14(8-6-13)16-10-15(16)11-20-18(22)17-4-2-3-9-19-17/h2-9,15-16H,10-11H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyBKECWTITWBLNCU-JKSUJKDBSA-N
MW294.35 g/mol
LogP2.82
Rot. Bonds5

About N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide

N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 72946592) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID72946592
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc([C@H]2C[C@H]2CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H18N2O2/c1-12(21)13-5-7-14(8-6-13)16-10-15(16)11-20-18(22)17-4-2-3-9-19-17/h2-9,15-16H,10-11H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyBKECWTITWBLNCU-JKSUJKDBSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
2-(2-methoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 86934431
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate
CID 170979733
N-[1-[(4-acetylphenyl)methyl]cyclohexanecarbonyl]pyridine-2-carboxamide
CID 122368606
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-2-carboxamide
CID 110741555

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 72946592) is N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide is CC(=O)c1ccc([C@H]2C[C@H]2CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is BKECWTITWBLNCU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(21)13-5-7-14(8-6-13)16-10-15(16)11-20-18(22)17-4-2-3-9-19-17/h2-9,15-16H,10-11H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide?
N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 72946592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).