2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide

C22H20FN5O2 — CID 129243985

IUPAC2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)C3CC3C#N)c2)ccc1O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C22H20FN5O2/c23-18-12-26-5-4-20(18)30-19-2-1-13(7-16(19)11-25)14-3-6-27-21(9-14)28-22(29)17-8-15(17)10-24/h1-3,6-7,9,15,17-18,20,26H,4-5,8,12H2,(H,27,28,29)/t15?,17?,18-,20+/m1/s1
InChIKeyAIOWVUAGVPGDBS-ZLJKYQPZSA-N
MW405.43 g/mol
LogP2.80
Rot. Bonds5

About 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide

2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 129243985) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID129243985
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)C3CC3C#N)c2)ccc1O[C@H]1CCNC[C@H]1F
InChIInChI=1S/C22H20FN5O2/c23-18-12-26-5-4-20(18)30-19-2-1-13(7-16(19)11-25)14-3-6-27-21(9-14)28-22(29)17-8-15(17)10-24/h1-3,6-7,9,15,17-18,20,26H,4-5,8,12H2,(H,27,28,29)/t15?,17?,18-,20+/m1/s1
InChIKeyAIOWVUAGVPGDBS-ZLJKYQPZSA-N
XLogP2.80
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 129244007
(1S)-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 129243911
2-cyano-N-[4-[3-cyano-4-[3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129270579
cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129256376
(2R)-2-[[4-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129256398
tert-butyl (3R,4S)-4-[2-cyano-4-[2-[[2-(trifluoromethyl)cyclopropanecarbonyl]amino]-4-pyridinyl]phenoxy]-3-fluoropiperidine-1-carboxylate
CID 140792799
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-[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129244436
N-[4-[3-cyano-4-[3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-phenylcyclopropane-1-carboxamide
CID 129270661
(2R)-N-[4-[3-cyano-4-[3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;methyl formate
CID 145336296
2-cyano-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropane-1-carboxamide
CID 129256477
trans-(1R,2R)-N-[4-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 129243982

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 129243985) is 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide is N#Cc1cc(-c2ccnc(NC(=O)C3CC3C#N)c2)ccc1O[C@H]1CCNC[C@H]1F.
What is the InChIKey of 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is AIOWVUAGVPGDBS-ZLJKYQPZSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-18-12-26-5-4-20(18)30-19-2-1-13(7-16(19)11-25)14-3-6-27-21(9-14)28-22(29)17-8-15(17)10-24/h1-3,6-7,9,15,17-18,20,26H,4-5,8,12H2,(H,27,28,29)/t15?,17?,18-,20+/m1/s1.
What are the key properties of 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129243985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).