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

C25H25F3N6O — CID 90279411

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESN[C@H]1CCCN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1
InChIInChI=1S/C25H25F3N6O/c26-16-6-1-7-17(27)21(16)22-18(28)8-9-19(32-22)25(35)33-20-12-31-24-15(5-2-10-30-24)23(20)34-11-3-4-14(29)13-34/h1,6-9,12,14H,2-5,10-11,13,29H2,(H,30,31)(H,33,35)/t14-/m0/s1
InChIKeyNHSUMDPNMBEPJB-AWEZNQCLSA-N
MW482.51 g/mol
LogP4.10
Rot. Bonds4

About 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

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 90279411) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 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 NameN-[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 CID90279411
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESN[C@H]1CCCN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1
InChIInChI=1S/C25H25F3N6O/c26-16-6-1-7-17(27)21(16)22-18(28)8-9-19(32-22)25(35)33-20-12-31-24-15(5-2-10-30-24)23(20)34-11-3-4-14(29)13-34/h1,6-9,12,14H,2-5,10-11,13,29H2,(H,30,31)(H,33,35)/t14-/m0/s1
InChIKeyNHSUMDPNMBEPJB-AWEZNQCLSA-N
XLogP4.10
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 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 90279411) is 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 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 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 N[C@H]1CCCN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CCCN3)C1.
What is the InChIKey of 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 NHSUMDPNMBEPJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H25F3N6O/c26-16-6-1-7-17(27)21(16)22-18(28)8-9-19(32-22)25(35)33-20-12-31-24-15(5-2-10-30-24)23(20)34-11-3-4-14(29)13-34/h1,6-9,12,14H,2-5,10-11,13,29H2,(H,30,31)(H,33,35)/t14-/m0/s1.
What are the key properties of 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?
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 482.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 90279411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).