N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide

C14H10ClF6N4O+ — CID 7389759

IUPACN-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Nc1ccc(Cl)c[nH+]1)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C14H9ClF6N4O/c15-9-3-4-10(23-7-9)24-12(13(16,17)18,14(19,20)21)25-11(26)8-2-1-5-22-6-8/h1-7H,(H,23,24)(H,25,26)/p+1
InChIKeyCZCDTOIOTFNUGV-UHFFFAOYSA-O
MW399.70 g/mol
LogP3.21
Rot. Bonds4

About N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide

N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide (PubChem CID 7389759) has the molecular formula C14H10ClF6N4O+ and a molecular weight of 399.70 g/mol. Its IUPAC name is N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
PubChem CID7389759
Molecular FormulaC14H10ClF6N4O+
Molecular Weight399.70 g/mol
Exact Mass399.04
IUPAC NameN-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Nc1ccc(Cl)c[nH+]1)(C(F)(F)F)C(F)(F)F)c1cccnc1
InChIInChI=1S/C14H9ClF6N4O/c15-9-3-4-10(23-7-9)24-12(13(16,17)18,14(19,20)21)25-11(26)8-2-1-5-22-6-8/h1-7H,(H,23,24)(H,25,26)/p+1
InChIKeyCZCDTOIOTFNUGV-UHFFFAOYSA-O
XLogP3.21
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
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CID 571633
N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
CID 3887648
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CID 4242902
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N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide (CID 7389759) is N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide is O=C(NC(Nc1ccc(Cl)c[nH+]1)(C(F)(F)F)C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide?
The InChIKey is CZCDTOIOTFNUGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H9ClF6N4O/c15-9-3-4-10(23-7-9)24-12(13(16,17)18,14(19,20)21)25-11(26)8-2-1-5-22-6-8/h1-7H,(H,23,24)(H,25,26)/p+1.
What are the key properties of N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide?
N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide has a molecular weight of 399.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 7389759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).