N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide

C16H14F2N2O2 — CID 122562392

IUPACN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C16H14F2N2O2/c1-22-11-4-7-19-14(9-11)15(21)20-16(5-6-16)12-8-10(17)2-3-13(12)18/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyOSRSPXNFMREWKP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide

N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide (PubChem CID 122562392) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
PubChem CID122562392
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C16H14F2N2O2/c1-22-11-4-7-19-14(9-11)15(21)20-16(5-6-16)12-8-10(17)2-3-13(12)18/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyOSRSPXNFMREWKP-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide (CID 122562392) is N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is OSRSPXNFMREWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-22-11-4-7-19-14(9-11)15(21)20-16(5-6-16)12-8-10(17)2-3-13(12)18/h2-4,7-9H,5-6H2,1H3,(H,20,21).
What are the key properties of N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide?
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 122562392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).