2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

C19H17F5N6O2 — CID 166675211

IUPAC2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(N)c(-c2cnn(C(F)F)c2)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H17F5N6O2/c20-18(21)30-8-11(7-28-30)13-5-14(16(26)29-15(13)25)17(31)27-6-10-1-3-12(4-2-10)32-9-19(22,23)24/h1-5,7-8,18H,6,9H2,(H,27,31)(H4,25,26,29)
InChIKeyGNUYYFHTTIWULH-UHFFFAOYSA-N
MW456.38 g/mol
LogP3.38
Rot. Bonds7

About 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 166675211) has the molecular formula C19H17F5N6O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID166675211
Molecular FormulaC19H17F5N6O2
Molecular Weight456.38 g/mol
Exact Mass456.13
IUPAC Name2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(N)c(-c2cnn(C(F)F)c2)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H17F5N6O2/c20-18(21)30-8-11(7-28-30)13-5-14(16(26)29-15(13)25)17(31)27-6-10-1-3-12(4-2-10)32-9-19(22,23)24/h1-5,7-8,18H,6,9H2,(H,27,31)(H4,25,26,29)
InChIKeyGNUYYFHTTIWULH-UHFFFAOYSA-N
XLogP3.38
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-diamino-5-[3-(2,2,2-trifluoroethyl)-1,2,4-triazol-1-yl]-N-[[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methyl]pyridine-3-carboxamide
CID 156808499
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
2,6-diamino-5-iodo-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]pyridine-3-carboxamide
CID 175280854
2-(2-amino-2-oxoethyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31352349
2,7-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 38797108
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843734
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30829879

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 166675211) is 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is Nc1nc(N)c(-c2cnn(C(F)F)c2)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GNUYYFHTTIWULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N6O2/c20-18(21)30-8-11(7-28-30)13-5-14(16(26)29-15(13)25)17(31)27-6-10-1-3-12(4-2-10)32-9-19(22,23)24/h1-5,7-8,18H,6,9H2,(H,27,31)(H4,25,26,29).
What are the key properties of 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-[1-(difluoromethyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166675211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).