N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide

C20H24N2O — CID 171097060

IUPACN-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
SMILESCc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H24N2O/c1-13(2)16-10-11-18(21-12-16)19(22-20(23)15-8-9-15)17-7-5-4-6-14(17)3/h4-7,10-13,15,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyOJNHPIJYTILADO-IBGZPJMESA-N
MW308.43 g/mol
LogP4.13
Rot. Bonds5

About N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide

N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide (PubChem CID 171097060) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
PubChem CID171097060
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
SMILESCc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H24N2O/c1-13(2)16-10-11-18(21-12-16)19(22-20(23)15-8-9-15)17-7-5-4-6-14(17)3/h4-7,10-13,15,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyOJNHPIJYTILADO-IBGZPJMESA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097047
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 176904217
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 126475356
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide (CID 171097060) is N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide is Cc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cn1.
What is the InChIKey of N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
The InChIKey is OJNHPIJYTILADO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)16-10-11-18(21-12-16)19(22-20(23)15-8-9-15)17-7-5-4-6-14(17)3/h4-7,10-13,15,19H,8-9H2,1-3H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide?
N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).