4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide

C26H33FN6O2 — CID 10814587

IUPAC4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1
InChIInChI=1S/C26H33FN6O2/c1-18-6-8-20-24(21(26(34)31(2)3)17-29-25(20)30-18)28-10-5-11-32-12-14-33(15-13-32)22-9-7-19(27)16-23(22)35-4/h6-9,16-17H,5,10-15H2,1-4H3,(H,28,29,30)
InChIKeyYBGJFTRZZKYHBW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.41
Rot. Bonds8

About 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide

4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide (PubChem CID 10814587) has the molecular formula C26H33FN6O2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide
PubChem CID10814587
Molecular FormulaC26H33FN6O2
Molecular Weight480.59 g/mol
Exact Mass480.26
IUPAC Name4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1
InChIInChI=1S/C26H33FN6O2/c1-18-6-8-20-24(21(26(34)31(2)3)17-29-25(20)30-18)28-10-5-11-32-12-14-33(15-13-32)22-9-7-19(27)16-23(22)35-4/h6-9,16-17H,5,10-15H2,1-4H3,(H,28,29,30)
InChIKeyYBGJFTRZZKYHBW-UHFFFAOYSA-N
XLogP3.41
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide (CID 10814587) is 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide is COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1.
What is the InChIKey of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is YBGJFTRZZKYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2/c1-18-6-8-20-24(21(26(34)31(2)3)17-29-25(20)30-18)28-10-5-11-32-12-14-33(15-13-32)22-9-7-19(27)16-23(22)35-4/h6-9,16-17H,5,10-15H2,1-4H3,(H,28,29,30).
What are the key properties of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide?
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10814587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).