trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide

C18H19N3O3 — CID 166236836

IUPACtrans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C18H19N3O3/c1-24-16-7-3-2-6-13(16)14-9-15(14)18(23)20-11-17(22)21-12-5-4-8-19-10-12/h2-8,10,14-15H,9,11H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1
InChIKeyBVJFUDYRWNTECS-LSDHHAIUSA-N
MW325.37 g/mol
LogP1.95
Rot. Bonds6

About trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 166236836) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID166236836
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C18H19N3O3/c1-24-16-7-3-2-6-13(16)14-9-15(14)18(23)20-11-17(22)21-12-5-4-8-19-10-12/h2-8,10,14-15H,9,11H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1
InChIKeyBVJFUDYRWNTECS-LSDHHAIUSA-N
XLogP1.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
(3S,4S)-4-(2-methoxyphenyl)-1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 93152793
1-benzoyl-4-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42681375
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
trans-(1R,2R)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99577723
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide (CID 166236836) is trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1cccnc1.
What is the InChIKey of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BVJFUDYRWNTECS-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-7-3-2-6-13(16)14-9-15(14)18(23)20-11-17(22)21-12-5-4-8-19-10-12/h2-8,10,14-15H,9,11H2,1H3,(H,20,23)(H,21,22)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166236836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).