N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

C26H24N4O3 — CID 129244301

IUPACN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)C3CC3c3ccncc3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H24N4O3/c27-16-20-13-18(1-2-24(20)33-21-6-11-32-12-7-21)19-5-10-29-25(14-19)30-26(31)23-15-22(23)17-3-8-28-9-4-17/h1-5,8-10,13-14,21-23H,6-7,11-12,15H2,(H,29,30,31)
InChIKeyPVMOZPJOQNHJCE-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.32
Rot. Bonds6

About N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 129244301) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID129244301
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)C3CC3c3ccncc3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H24N4O3/c27-16-20-13-18(1-2-24(20)33-21-6-11-32-12-7-21)19-5-10-29-25(14-19)30-26(31)23-15-22(23)17-3-8-28-9-4-17/h1-5,8-10,13-14,21-23H,6-7,11-12,15H2,(H,29,30,31)
InChIKeyPVMOZPJOQNHJCE-UHFFFAOYSA-N
XLogP4.32
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 129244011
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 129243991
cis-(1R,2R)-2-cyano-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129256376
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 129244208
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 129260795
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 129261146
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
CID 129260986
(2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
CID 129261095
cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129261149
N-[4-[3-cyano-4-[3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-phenylcyclopropane-1-carboxamide
CID 129270661
6-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 71295333

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (CID 129244301) is N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is N#Cc1cc(-c2ccnc(NC(=O)C3CC3c3ccncc3)c2)ccc1OC1CCOCC1.
What is the InChIKey of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is PVMOZPJOQNHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c27-16-20-13-18(1-2-24(20)33-21-6-11-32-12-7-21)19-5-10-29-25(14-19)30-26(31)23-15-22(23)17-3-8-28-9-4-17/h1-5,8-10,13-14,21-23H,6-7,11-12,15H2,(H,29,30,31).
What are the key properties of N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 129244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).