N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H14F3N5O — CID 122162686

IUPACN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nccc1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H14F3N5O/c1-25-14(6-7-24-25)13-4-2-11(8-21-13)9-23-16(26)12-3-5-15(22-10-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,26)
InChIKeyZAJIGHZNLBKVBZ-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.83
Rot. Bonds4

About N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122162686) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID122162686
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nccc1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H14F3N5O/c1-25-14(6-7-24-25)13-4-2-11(8-21-13)9-23-16(26)12-3-5-15(22-10-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,26)
InChIKeyZAJIGHZNLBKVBZ-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
2-(4-fluorophenoxy)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 121023422
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 122162683
5-(furan-2-yl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 122162680
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122162679
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
3-(2-methylphenyl)-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122162670
3-(5-methyl-2-pyridinyl)-5-methylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 162600667
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122162686) is N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cn1nccc1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZAJIGHZNLBKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-25-14(6-7-24-25)13-4-2-11(8-21-13)9-23-16(26)12-3-5-15(22-10-12)17(18,19)20/h2-8,10H,9H2,1H3,(H,23,26).
What are the key properties of N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122162686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).