N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide

C26H24F2N6O — CID 118646871

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ncc(-c4c(F)cccc4F)cc3n2)C1
InChIInChI=1S/C26H24F2N6O/c1-15-9-17(29)14-34(13-15)24-7-8-30-12-23(24)33-26(35)21-6-5-20-22(32-21)10-16(11-31-20)25-18(27)3-2-4-19(25)28/h2-8,10-12,15,17H,9,13-14,29H2,1H3,(H,33,35)/t15-,17+/m1/s1
InChIKeyTZPPZCDEBQJSJD-WBVHZDCISA-N
MW474.52 g/mol
LogP4.40
Rot. Bonds4

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646871) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide
PubChem CID118646871
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ncc(-c4c(F)cccc4F)cc3n2)C1
InChIInChI=1S/C26H24F2N6O/c1-15-9-17(29)14-34(13-15)24-7-8-30-12-23(24)33-26(35)21-6-5-20-22(32-21)10-16(11-31-20)25-18(27)3-2-4-19(25)28/h2-8,10-12,15,17H,9,13-14,29H2,1H3,(H,33,35)/t15-,17+/m1/s1
InChIKeyTZPPZCDEBQJSJD-WBVHZDCISA-N
XLogP4.40
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide (CID 118646871) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3ncc(-c4c(F)cccc4F)cc3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is TZPPZCDEBQJSJD-WBVHZDCISA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-15-9-17(29)14-34(13-15)24-7-8-30-12-23(24)33-26(35)21-6-5-20-22(32-21)10-16(11-31-20)25-18(27)3-2-4-19(25)28/h2-8,10-12,15,17H,9,13-14,29H2,1H3,(H,33,35)/t15-,17+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-7-(2,6-difluorophenyl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).