3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide

C22H24FN7O3S — CID 77420715

IUPAC3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide
SMILESNc1cc(F)c(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C22H24FN7O3S/c23-16-10-17(25)21(29-20(16)13-3-1-5-15(9-13)34(26,32)33)22(31)28-18-11-27-7-6-19(18)30-8-2-4-14(24)12-30/h1,3,5-7,9-11,14H,2,4,8,12,24-25H2,(H,28,31)(H2,26,32,33)
InChIKeyVXPPNKHNPLBQIX-UHFFFAOYSA-N
MW485.55 g/mol
LogP1.69
Rot. Bonds5

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide (PubChem CID 77420715) has the molecular formula C22H24FN7O3S and a molecular weight of 485.55 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide
PubChem CID77420715
Molecular FormulaC22H24FN7O3S
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide
SMILESNc1cc(F)c(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C22H24FN7O3S/c23-16-10-17(25)21(29-20(16)13-3-1-5-15(9-13)34(26,32)33)22(31)28-18-11-27-7-6-19(18)30-8-2-4-14(24)12-30/h1,3,5-7,9-11,14H,2,4,8,12,24-25H2,(H,28,31)(H2,26,32,33)
InChIKeyVXPPNKHNPLBQIX-UHFFFAOYSA-N
XLogP1.69
TPSA170.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226518
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 68187593
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 68187641
3-amino-N-(4-((3R,4R)-3-amino-4-hydroxy-piperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)picolinamide
CID 69042864
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
CID 69090444
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 127041542
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 127042183
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
3-amino-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10141178

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide (CID 77420715) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide is Nc1cc(F)c(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)Nc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide?
The InChIKey is VXPPNKHNPLBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O3S/c23-16-10-17(25)21(29-20(16)13-3-1-5-15(9-13)34(26,32)33)22(31)28-18-11-27-7-6-19(18)30-8-2-4-14(24)12-30/h1,3,5-7,9-11,14H,2,4,8,12,24-25H2,(H,28,31)(H2,26,32,33).
What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 77420715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).