N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C23H24Cl2N6O3 — CID 10185509

IUPACN-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=CNCCN1CCN(c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H24Cl2N6O3/c24-16-10-15(11-17(25)12-16)13-28-23(34)20-21(33)19-18(2-1-3-27-19)22(29-20)31-8-6-30(7-9-31)5-4-26-14-32/h1-3,10-12,14,33H,4-9,13H2,(H,26,32)(H,28,34)
InChIKeySDOIAASCQIEZST-UHFFFAOYSA-N
MW503.39 g/mol
LogP2.44
Rot. Bonds8

About N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 10185509) has the molecular formula C23H24Cl2N6O3 and a molecular weight of 503.39 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID10185509
Molecular FormulaC23H24Cl2N6O3
Molecular Weight503.39 g/mol
Exact Mass502.13
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=CNCCN1CCN(c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H24Cl2N6O3/c24-16-10-15(11-17(25)12-16)13-28-23(34)20-21(33)19-18(2-1-3-27-19)22(29-20)31-8-6-30(7-9-31)5-4-26-14-32/h1-3,10-12,14,33H,4-9,13H2,(H,26,32)(H,28,34)
InChIKeySDOIAASCQIEZST-UHFFFAOYSA-N
XLogP2.44
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 10185509) is N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is O=CNCCN1CCN(c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3)c(O)c3ncccc23)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is SDOIAASCQIEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6O3/c24-16-10-15(11-17(25)12-16)13-28-23(34)20-21(33)19-18(2-1-3-27-19)22(29-20)31-8-6-30(7-9-31)5-4-26-14-32/h1-3,10-12,14,33H,4-9,13H2,(H,26,32)(H,28,34).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 503.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).