N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide

C17H16F3N3O2 — CID 86833573

IUPACN-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C17H16F3N3O2/c1-23(9-7-17(18,19)20)16(25)12-4-2-6-14(10-12)22-15(24)13-5-3-8-21-11-13/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKeyDOJNLPYAFCFNNT-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.36
Rot. Bonds5

About N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 86833573) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID86833573
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C17H16F3N3O2/c1-23(9-7-17(18,19)20)16(25)12-4-2-6-14(10-12)22-15(24)13-5-3-8-21-11-13/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKeyDOJNLPYAFCFNNT-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 78862411
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 47088997
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 86833573) is N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DOJNLPYAFCFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-23(9-7-17(18,19)20)16(25)12-4-2-6-14(10-12)22-15(24)13-5-3-8-21-11-13/h2-6,8,10-11H,7,9H2,1H3,(H,22,24).
What are the key properties of N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86833573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).