2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C25H22FN5O2 — CID 155984835

IUPAC2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2
InChIInChI=1S/C25H22FN5O2/c26-18-6-7-20-16(10-18)12-22(29-20)25(33)31-9-8-21-17(14-31)11-19(23(27)30-21)24(32)28-13-15-4-2-1-3-5-15/h1-7,10-12,29H,8-9,13-14H2,(H2,27,30)(H,28,32)
InChIKeyOWRJUEBPYNSPGY-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.41
Rot. Bonds4

About 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 155984835) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID155984835
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESNc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2
InChIInChI=1S/C25H22FN5O2/c26-18-6-7-20-16(10-18)12-22(29-20)25(33)31-9-8-21-17(14-31)11-19(23(27)30-21)24(32)28-13-15-4-2-1-3-5-15/h1-7,10-12,29H,8-9,13-14H2,(H2,27,30)(H,28,32)
InChIKeyOWRJUEBPYNSPGY-UHFFFAOYSA-N
XLogP3.41
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 155984835) is 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2.
What is the InChIKey of 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is OWRJUEBPYNSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-18-6-7-20-16(10-18)12-22(29-20)25(33)31-9-8-21-17(14-31)11-19(23(27)30-21)24(32)28-13-15-4-2-1-3-5-15/h1-7,10-12,29H,8-9,13-14H2,(H2,27,30)(H,28,32).
What are the key properties of 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-(5-fluoro-1H-indole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 155984835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).