trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H21ClN2O2 — CID 172583761

IUPACtrans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCO[C@@](C)(CNC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-19(24-2,14-6-3-7-15(20)9-14)12-22-18(23)17-10-16(17)13-5-4-8-21-11-13/h3-9,11,16-17H,10,12H2,1-2H3,(H,22,23)/t16-,17+,19+/m1/s1
InChIKeyKTZXRUYIWRIJOH-AOIWGVFYSA-N
MW344.84 g/mol
LogP3.52
Rot. Bonds6

About trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 172583761) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID172583761
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Nametrans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCO[C@@](C)(CNC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-19(24-2,14-6-3-7-15(20)9-14)12-22-18(23)17-10-16(17)13-5-4-8-21-11-13/h3-9,11,16-17H,10,12H2,1-2H3,(H,22,23)/t16-,17+,19+/m1/s1
InChIKeyKTZXRUYIWRIJOH-AOIWGVFYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide
CID 90599865
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 49323600
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
tert-butyl N-[1-[[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]methyl]cycloheptyl]carbamate
CID 52505314
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 172583761) is trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is CO[C@@](C)(CNC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is KTZXRUYIWRIJOH-AOIWGVFYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-19(24-2,14-6-3-7-15(20)9-14)12-22-18(23)17-10-16(17)13-5-4-8-21-11-13/h3-9,11,16-17H,10,12H2,1-2H3,(H,22,23)/t16-,17+,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 172583761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).