cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

C22H20N4O3 — CID 129256376

IUPACcis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3C#N)c2)ccc1OC1CCOCC1
InChIInChI=1S/C22H20N4O3/c23-12-16-10-19(16)22(27)26-21-11-15(3-6-25-21)14-1-2-20(17(9-14)13-24)29-18-4-7-28-8-5-18/h1-3,6,9,11,16,18-19H,4-5,7-8,10H2,(H,25,26,27)/t16-,19+/m0/s1
InChIKeyKJIKXYLCWGGCEO-QFBILLFUSA-N
MW388.43 g/mol
LogP3.28
Rot. Bonds5

About cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 129256376) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID129256376
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namecis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3C#N)c2)ccc1OC1CCOCC1
InChIInChI=1S/C22H20N4O3/c23-12-16-10-19(16)22(27)26-21-11-15(3-6-25-21)14-1-2-20(17(9-14)13-24)29-18-4-7-28-8-5-18/h1-3,6,9,11,16,18-19H,4-5,7-8,10H2,(H,25,26,27)/t16-,19+/m0/s1
InChIKeyKJIKXYLCWGGCEO-QFBILLFUSA-N
XLogP3.28
TPSA108.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 129244208
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 129244301
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 129243991
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 129244011
2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129243985
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
2-cyano-N-[4-[3-cyano-4-[3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129270579
cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129261149
6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 71295333
cis-(1R,2R)-2-(hydroxymethyl)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129260792
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
CID 145336303
trans-(1R,2R)-2-[(1S)-1-hydroxyethyl]-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129261176

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 129256376) is cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is N#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3C#N)c2)ccc1OC1CCOCC1.
What is the InChIKey of cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is KJIKXYLCWGGCEO-QFBILLFUSA-N. The full InChI is InChI=1S/C22H20N4O3/c23-12-16-10-19(16)22(27)26-21-11-15(3-6-25-21)14-1-2-20(17(9-14)13-24)29-18-4-7-28-8-5-18/h1-3,6,9,11,16,18-19H,4-5,7-8,10H2,(H,25,26,27)/t16-,19+/m0/s1.
What are the key properties of cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129256376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).