2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C19H15F3N4O2 — CID 10293612

IUPAC2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-15-5-3-14(4-6-15)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyOTNWILINSOEKBG-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.24
Rot. Bonds6

About 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 10293612) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID10293612
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)28-15-5-3-14(4-6-15)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyOTNWILINSOEKBG-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gnf-2
CID 5311510
Amg-487
CID 24957182
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
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AMG-487 metabolite M2
CID 11757854
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
CID 89907349
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[[3-(Trifluoromethyl)phenyl]amino]-N-[3-[4-(2-isopropoxyphenyl)piperazine-1-yl]-2-hydroxypropyl]-3-pyridinecarboxamide
CID 9915752
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 10293612) is 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is OTNWILINSOEKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)28-15-5-3-14(4-6-15)26-18(27)16-2-1-9-24-17(16)25-12-13-7-10-23-11-8-13/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10293612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).