4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide

C23H27N5O2 — CID 98077510

IUPAC4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)CC1
InChIInChI=1S/C23H27N5O2/c1-30-18-6-4-17(5-7-18)23(29)27-14-13-26-22-19-3-2-10-25-21(19)15-20(28-22)16-8-11-24-12-9-16/h2-3,8-12,15,17-18H,4-7,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyJTTRKMRLGAZXEM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.43
Rot. Bonds7

About 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide

4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 98077510) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide
PubChem CID98077510
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)CC1
InChIInChI=1S/C23H27N5O2/c1-30-18-6-4-17(5-7-18)23(29)27-14-13-26-22-19-3-2-10-25-21(19)15-20(28-22)16-8-11-24-12-9-16/h2-3,8-12,15,17-18H,4-7,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyJTTRKMRLGAZXEM-UHFFFAOYSA-N
XLogP3.43
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-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 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide (CID 98077510) is 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide is COC1CCC(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)CC1.
What is the InChIKey of 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is JTTRKMRLGAZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-18-6-4-17(5-7-18)23(29)27-14-13-26-22-19-3-2-10-25-21(19)15-20(28-22)16-8-11-24-12-9-16/h2-3,8-12,15,17-18H,4-7,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide?
4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 98077510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).