N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C21H16F6N4O2 — CID 10227079

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C21H16F6N4O2/c22-20(23,24)19(33,21(25,26)27)14-3-5-15(6-4-14)31-18(32)16-2-1-9-29-17(16)30-12-13-7-10-28-11-8-13/h1-11,33H,12H2,(H,29,30)(H,31,32)
InChIKeyYIDKXOVFDQEFSL-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10227079) has the molecular formula C21H16F6N4O2 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10227079
Molecular FormulaC21H16F6N4O2
Molecular Weight470.37 g/mol
Exact Mass470.12
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C21H16F6N4O2/c22-20(23,24)19(33,21(25,26)27)14-3-5-15(6-4-14)31-18(32)16-2-1-9-29-17(16)30-12-13-7-10-28-11-8-13/h1-11,33H,12H2,(H,29,30)(H,31,32)
InChIKeyYIDKXOVFDQEFSL-UHFFFAOYSA-N
XLogP4.65
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 9968862
N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
2-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethyl)phenyl)nicotinamide
CID 20773396
N-biphenyl-4-yl-2-[(pyridin-4-ylmethyl)-amino]-nicotinamide
CID 20773474
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 22249467
5-[6-(Ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208362
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
2-amino-5-[4-[[(2S)-2-hydroxy-2-phenylpropanoyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118015
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-ethylpyridine-3-carboxamide
CID 156118016
2-amino-5-[4-[[(2R)-2-hydroxy-2-phenylpropanoyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118048
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyridine-3-carboxamide
CID 156118285
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 156118288

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10227079) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is YIDKXOVFDQEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N4O2/c22-20(23,24)19(33,21(25,26)27)14-3-5-15(6-4-14)31-18(32)16-2-1-9-29-17(16)30-12-13-7-10-28-11-8-13/h1-11,33H,12H2,(H,29,30)(H,31,32).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10227079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).