trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C17H17ClN2O — CID 95615188

IUPACtrans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H17ClN2O/c1-11-2-3-12(9-19-11)10-20-17(21)16-8-15(16)13-4-6-14(18)7-5-13/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyBALCHZHXGAPDAZ-JKSUJKDBSA-N
MW300.79 g/mol
LogP3.46
Rot. Bonds4

About trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 95615188) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID95615188
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H17ClN2O/c1-11-2-3-12(9-19-11)10-20-17(21)16-8-15(16)13-4-6-14(18)7-5-13/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyBALCHZHXGAPDAZ-JKSUJKDBSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
trans-(1S,2S)-2-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 95760745
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19331083
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate
CID 138713624

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 95615188) is trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1.
What is the InChIKey of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is BALCHZHXGAPDAZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-2-3-12(9-19-11)10-20-17(21)16-8-15(16)13-4-6-14(18)7-5-13/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95615188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).