3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

C25H26F3N7O — CID 90279391

IUPAC3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2
InChIInChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1
InChIKeyKCVZUSUTNUFEER-ZDUSSCGKSA-N
MW497.53 g/mol
LogP3.68
Rot. Bonds4

About 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 90279391) has the molecular formula C25H26F3N7O and a molecular weight of 497.53 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID90279391
Molecular FormulaC25H26F3N7O
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2
InChIInChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1
InChIKeyKCVZUSUTNUFEER-ZDUSSCGKSA-N
XLogP3.68
TPSA122.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 90279391) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCCN2.
What is the InChIKey of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is KCVZUSUTNUFEER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H26F3N7O/c26-15-6-1-7-16(27)20(15)21-17(28)10-18(30)22(34-21)25(36)33-19-11-32-24-14(5-2-8-31-24)23(19)35-9-3-4-13(29)12-35/h1,6-7,10-11,13H,2-5,8-9,12,29-30H2,(H,31,32)(H,33,36)/t13-/m0/s1.
What are the key properties of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 90279391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).