trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide

C18H17F2N3O2 — CID 95770541

IUPACtrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccncc1
InChIInChI=1S/C18H17F2N3O2/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)22-9-6-16(24)23-11-4-7-21-8-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,22,25)(H,21,23,24)/t12-,13-/m1/s1
InChIKeyGAIQQDYIUYFBOM-CHWSQXEVSA-N
MW345.35 g/mol
LogP2.61
Rot. Bonds6

About trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 95770541) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
PubChem CID95770541
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccncc1
InChIInChI=1S/C18H17F2N3O2/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)22-9-6-16(24)23-11-4-7-21-8-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,22,25)(H,21,23,24)/t12-,13-/m1/s1
InChIKeyGAIQQDYIUYFBOM-CHWSQXEVSA-N
XLogP2.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]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

trans-(1R,2R)-2-(4-chlorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95299100
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94811747
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide (CID 95770541) is trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide is O=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)Nc1ccncc1.
What is the InChIKey of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is GAIQQDYIUYFBOM-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)22-9-6-16(24)23-11-4-7-21-8-5-11/h1-5,7-8,12-13H,6,9-10H2,(H,22,25)(H,21,23,24)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95770541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).