N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine

C19H16F3N3 — CID 133414877

IUPACN-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)c1
InChIInChI=1S/C19H16F3N3/c1-13-5-4-6-14(11-13)18(16-7-2-3-10-23-16)25-17-9-8-15(12-24-17)19(20,21)22/h2-12,18H,1H3,(H,24,25)
InChIKeyXJWSYTIIGDUUTL-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.01
Rot. Bonds4

About N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133414877) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133414877
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC NameN-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)c1
InChIInChI=1S/C19H16F3N3/c1-13-5-4-6-14(11-13)18(16-7-2-3-10-23-16)25-17-9-8-15(12-24-17)19(20,21)22/h2-12,18H,1H3,(H,24,25)
InChIKeyXJWSYTIIGDUUTL-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
3-chloro-N-[(R)-phenyl(pyridin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 25357011
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
CID 133414736
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
3-bromo-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414684
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
CID 133414724

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133414877) is N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cccc(C(Nc2ccc(C(F)(F)F)cn2)c2ccccn2)c1.
What is the InChIKey of N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XJWSYTIIGDUUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-13-5-4-6-14(11-13)18(16-7-2-3-10-23-16)25-17-9-8-15(12-24-17)19(20,21)22/h2-12,18H,1H3,(H,24,25).
What are the key properties of N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 343.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133414877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).