3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide

C23H24F2N6O2 — CID 77420647

IUPAC3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)cc1F
InChIInChI=1S/C23H24F2N6O2/c1-33-21-10-15(24)14(9-16(21)25)18-5-4-17(27)22(29-18)23(32)30-19-11-28-7-6-20(19)31-8-2-3-13(26)12-31/h4-7,9-11,13H,2-3,8,12,26-27H2,1H3,(H,30,32)
InChIKeyIEVVCKLSFKNVIK-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.19
Rot. Bonds5

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 77420647) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID77420647
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)cc1F
InChIInChI=1S/C23H24F2N6O2/c1-33-21-10-15(24)14(9-16(21)25)18-5-4-17(27)22(29-18)23(32)30-19-11-28-7-6-20(19)31-8-2-3-13(26)12-31/h4-7,9-11,13H,2-3,8,12,26-27H2,1H3,(H,30,32)
InChIKeyIEVVCKLSFKNVIK-UHFFFAOYSA-N
XLogP3.19
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 77420726
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide
CID 77420793
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 77420717
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methylthiophen-2-yl)pyridine-2-carboxamide
CID 77420686
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 25051457
6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 77420790
3-amino-N-[4-(4-amino-3-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 77419853
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-[2,6-difluoro-3-(propan-2-ylcarbamoyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 77419911
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
CID 72725607
[(3S)-1-[3-[[3-amino-6-(5-carbamoyl-2-fluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 145468544
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-propoxypyrazin-2-yl)pyridine-2-carboxamide
CID 77419913

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide (CID 77420647) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide is COc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)cc1F.
What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is IEVVCKLSFKNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-33-21-10-15(24)14(9-16(21)25)18-5-4-17(27)22(29-18)23(32)30-19-11-28-7-6-20(19)31-8-2-3-13(26)12-31/h4-7,9-11,13H,2-3,8,12,26-27H2,1H3,(H,30,32).
What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 77420647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).