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

C15H12F6N4O — CID 3695721

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C15H12F6N4O/c16-14(17,18)13(15(19,20)21,24-8-10-3-1-5-22-7-10)25-12(26)11-4-2-6-23-9-11/h1-7,9,24H,8H2,(H,25,26)
InChIKeyQMHMQDAXTYQCSX-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.82
Rot. Bonds5

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

N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (PubChem CID 3695721) has the molecular formula C15H12F6N4O and a molecular weight of 378.28 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
PubChem CID3695721
Molecular FormulaC15H12F6N4O
Molecular Weight378.28 g/mol
Exact Mass378.09
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C15H12F6N4O/c16-14(17,18)13(15(19,20)21,24-8-10-3-1-5-22-7-10)25-12(26)11-4-2-6-23-9-11/h1-7,9,24H,8H2,(H,25,26)
InChIKeyQMHMQDAXTYQCSX-UHFFFAOYSA-N
XLogP2.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzylcarbamoylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
CID 16764154
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[2-(benzylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-fluorobenzamide
CID 571679
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
CID 7389759
N-benzylpyridine-3-carboxamide chloride
CID 21204170
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
CID 571633
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (CID 3695721) is N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is O=C(NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is QMHMQDAXTYQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N4O/c16-14(17,18)13(15(19,20)21,24-8-10-3-1-5-22-7-10)25-12(26)11-4-2-6-23-9-11/h1-7,9,24H,8H2,(H,25,26).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3695721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).