6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

C18H16F3N5O — CID 90980912

IUPAC6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NC(c2cn[nH]c2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N5O/c1-22-15-7-3-6-14(25-15)17(27)26-16(12-9-23-24-10-12)11-4-2-5-13(8-11)18(19,20)21/h2-10,16H,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDSOXJXDIHXNWKK-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.38
Rot. Bonds5

About 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 90980912) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID90980912
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NC(c2cn[nH]c2)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N5O/c1-22-15-7-3-6-14(25-15)17(27)26-16(12-9-23-24-10-12)11-4-2-5-13(8-11)18(19,20)21/h2-10,16H,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDSOXJXDIHXNWKK-UHFFFAOYSA-N
XLogP3.38
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
1-methyl-6-(1H-pyrazol-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 178095357
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 124888347
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
2-methyl-N-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]but-2-enamide
CID 127265777
N-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide
CID 150023911
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
1-[1-(4-methylphenyl)butan-2-yl]-3-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]urea
CID 166234162
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
6-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 106218147

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (CID 90980912) is 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is CNc1cccc(C(=O)NC(c2cn[nH]c2)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is DSOXJXDIHXNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-22-15-7-3-6-14(25-15)17(27)26-16(12-9-23-24-10-12)11-4-2-5-13(8-11)18(19,20)21/h2-10,16H,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 90980912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).