6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

C27H32N4O3 — CID 68740139

IUPAC6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C27H32N4O3/c1-20(2)34-18-6-13-28-26(32)22-11-12-25(29-19-22)30-14-16-31(17-15-30)27(33)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,19-20H,6,13-18H2,1-2H3,(H,28,32)
InChIKeyCFEQEWGYEHGXSO-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.74
Rot. Bonds8

About 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide

6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (PubChem CID 68740139) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
PubChem CID68740139
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C27H32N4O3/c1-20(2)34-18-6-13-28-26(32)22-11-12-25(29-19-22)30-14-16-31(17-15-30)27(33)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,19-20H,6,13-18H2,1-2H3,(H,28,32)
InChIKeyCFEQEWGYEHGXSO-UHFFFAOYSA-N
XLogP3.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.74
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 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide (CID 68740139) is 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
The InChIKey is CFEQEWGYEHGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-20(2)34-18-6-13-28-26(32)22-11-12-25(29-19-22)30-14-16-31(17-15-30)27(33)24-10-5-8-21-7-3-4-9-23(21)24/h3-5,7-12,19-20H,6,13-18H2,1-2H3,(H,28,32).
What are the key properties of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide?
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 68740139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).