N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide

C18H16F3N3O2 — CID 32898423

IUPACN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)n1
InChIInChI=1S/C18H16F3N3O2/c1-10-3-2-4-15(22-10)17(26)24-14-8-7-12(9-13(14)18(19,20)21)23-16(25)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyFSPRGZIPYNLQTN-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.01
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 32898423) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID32898423
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)n1
InChIInChI=1S/C18H16F3N3O2/c1-10-3-2-4-15(22-10)17(26)24-14-8-7-12(9-13(14)18(19,20)21)23-16(25)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyFSPRGZIPYNLQTN-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide (CID 32898423) is N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)n1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FSPRGZIPYNLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-10-3-2-4-15(22-10)17(26)24-14-8-7-12(9-13(14)18(19,20)21)23-16(25)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 32898423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).