N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide

C26H22FN5O2 — CID 71457364

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(NCCc2c[nH]c3ccccc23)c2cccnc2c1O
InChIInChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34)
InChIKeyDEEQJHMLWWWDLS-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.54
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide (PubChem CID 71457364) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide
PubChem CID71457364
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(NCCc2c[nH]c3ccccc23)c2cccnc2c1O
InChIInChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34)
InChIKeyDEEQJHMLWWWDLS-UHFFFAOYSA-N
XLogP4.54
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide (CID 71457364) is N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(NCCc2c[nH]c3ccccc23)c2cccnc2c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide?
The InChIKey is DEEQJHMLWWWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c27-18-9-7-16(8-10-18)14-31-26(34)23-24(33)22-20(5-3-12-28-22)25(32-23)29-13-11-17-15-30-21-6-2-1-4-19(17)21/h1-10,12,15,30,33H,11,13-14H2,(H,29,32)(H,31,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.54, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(1H-indol-3-yl)ethylamino]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 71457364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).