N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide

C26H21F2N5O — CID 168930075

IUPACN-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccnc(C(F)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C26H21F2N5O/c1-15-2-3-17(18-6-7-30-23(10-18)25(27)28)9-21(15)19-8-20(13-29-12-19)22-11-24(32-14-31-22)33-26(34)16-4-5-16/h2-3,6-14,16,25H,4-5H2,1H3,(H,31,32,33,34)
InChIKeyKDHAQGVWKSSNHS-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.86
Rot. Bonds6

About N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 168930075) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID168930075
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC NameN-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccnc(C(F)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C26H21F2N5O/c1-15-2-3-17(18-6-7-30-23(10-18)25(27)28)9-21(15)19-8-20(13-29-12-19)22-11-24(32-14-31-22)33-26(34)16-4-5-16/h2-3,6-14,16,25H,4-5H2,1H3,(H,31,32,33,34)
InChIKeyKDHAQGVWKSSNHS-UHFFFAOYSA-N
XLogP5.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168928807
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 168928461
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
CID 168930169
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[6-(3-cyano-4-fluorophenyl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 129243996
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide (CID 168930075) is N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide is Cc1ccc(-c2ccnc(C(F)F)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1.
What is the InChIKey of N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KDHAQGVWKSSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O/c1-15-2-3-17(18-6-7-30-23(10-18)25(27)28)9-21(15)19-8-20(13-29-12-19)22-11-24(32-14-31-22)33-26(34)16-4-5-16/h2-3,6-14,16,25H,4-5H2,1H3,(H,31,32,33,34).
What are the key properties of N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 457.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 168930075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).