N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C16H12F3N3O2 — CID 99793440

IUPACN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C16H12F3N3O2/c1-24-13-7-3-2-5-10(13)12(9-20)22-15(23)11-6-4-8-21-14(11)16(17,18)19/h2-8,12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyQAXXVTNLCQPCCM-LBPRGKRZSA-N
MW335.29 g/mol
LogP3.10
Rot. Bonds4

About N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 99793440) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID99793440
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1cccnc1C(F)(F)F
InChIInChI=1S/C16H12F3N3O2/c1-24-13-7-3-2-5-10(13)12(9-20)22-15(23)11-6-4-8-21-14(11)16(17,18)19/h2-8,12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyQAXXVTNLCQPCCM-LBPRGKRZSA-N
XLogP3.10
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
2-[(2-methoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120533076
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
3-chloro-N-[cyano-(2-methoxyphenyl)methyl]-2-nitrobenzamide
CID 75514742
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75438483
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
CID 97213478
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 99793440) is N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is COc1ccccc1[C@H](C#N)NC(=O)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QAXXVTNLCQPCCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-13-7-3-2-5-10(13)12(9-20)22-15(23)11-6-4-8-21-14(11)16(17,18)19/h2-8,12H,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 99793440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).