4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide

C24H24N4O2 — CID 172656279

IUPAC4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide
SMILESCOc1ncccc1-c1ccc(C(=O)NCCCn2ccnc2C)c2ccccc12
InChIInChI=1S/C24H24N4O2/c1-17-25-14-16-28(17)15-6-13-26-23(29)21-11-10-20(18-7-3-4-8-19(18)21)22-9-5-12-27-24(22)30-2/h3-5,7-12,14,16H,6,13,15H2,1-2H3,(H,26,29)
InChIKeyHIFLHQDFFQAROR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.24
Rot. Bonds7

About 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide

4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide (PubChem CID 172656279) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide
PubChem CID172656279
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide
SMILESCOc1ncccc1-c1ccc(C(=O)NCCCn2ccnc2C)c2ccccc12
InChIInChI=1S/C24H24N4O2/c1-17-25-14-16-28(17)15-6-13-26-23(29)21-11-10-20(18-7-3-4-8-19(18)21)22-9-5-12-27-24(22)30-2/h3-5,7-12,14,16H,6,13,15H2,1-2H3,(H,26,29)
InChIKeyHIFLHQDFFQAROR-UHFFFAOYSA-N
XLogP4.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide (CID 172656279) is 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide is COc1ncccc1-c1ccc(C(=O)NCCCn2ccnc2C)c2ccccc12.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide?
The InChIKey is HIFLHQDFFQAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-25-14-16-28(17)15-6-13-26-23(29)21-11-10-20(18-7-3-4-8-19(18)21)22-9-5-12-27-24(22)30-2/h3-5,7-12,14,16H,6,13,15H2,1-2H3,(H,26,29).
What are the key properties of 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide?
4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-N-[3-(2-methylimidazol-1-yl)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172656279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).