4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide

C17H18F3N3O2 — CID 133469822

IUPAC4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNc2ccncc2C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)25-12-4-3-11(14(7-12)17(18,19)20)8-23-15-5-6-22-9-13(15)16(21)24/h3-7,9-10H,8H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyITOIFQVAPDQWML-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.60
Rot. Bonds6

About 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide

4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133469822) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133469822
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CNc2ccncc2C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)25-12-4-3-11(14(7-12)17(18,19)20)8-23-15-5-6-22-9-13(15)16(21)24/h3-7,9-10H,8H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyITOIFQVAPDQWML-UHFFFAOYSA-N
XLogP3.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitrobenzamide
CID 133275327
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 119315081
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133275354
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methanamine
CID 56823459
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
1,2-dimethyl-3-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 75493865

Frequently Asked Questions

What is the IUPAC name of 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide (CID 133469822) is 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide is CC(C)Oc1ccc(CNc2ccncc2C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is ITOIFQVAPDQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(2)25-12-4-3-11(14(7-12)17(18,19)20)8-23-15-5-6-22-9-13(15)16(21)24/h3-7,9-10H,8H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide?
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133469822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).