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

C31H32N4O2 — CID 68738018

IUPAC6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C31H32N4O2/c36-30(32-18-7-6-11-24-9-2-1-3-10-24)26-16-17-29(33-23-26)34-19-21-35(22-20-34)31(37)28-15-8-13-25-12-4-5-14-27(25)28/h1-5,8-10,12-17,23H,6-7,11,18-22H2,(H,32,36)
InChIKeyOVHIHQVITVCSCT-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.95
Rot. Bonds8

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

6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide (PubChem CID 68738018) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
PubChem CID68738018
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C31H32N4O2/c36-30(32-18-7-6-11-24-9-2-1-3-10-24)26-16-17-29(33-23-26)34-19-21-35(22-20-34)31(37)28-15-8-13-25-12-4-5-14-27(25)28/h1-5,8-10,12-17,23H,6-7,11,18-22H2,(H,32,36)
InChIKeyOVHIHQVITVCSCT-UHFFFAOYSA-N
XLogP4.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68740139
N-(3-phenylpropyl)-6-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68736593
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68740615
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737482
N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68738553
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
N-(2-phenylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105829
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275

Frequently Asked Questions

What is the IUPAC name of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide (CID 68738018) is 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide is O=C(NCCCCc1ccccc1)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is OVHIHQVITVCSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c36-30(32-18-7-6-11-24-9-2-1-3-10-24)26-16-17-29(33-23-26)34-19-21-35(22-20-34)31(37)28-15-8-13-25-12-4-5-14-27(25)28/h1-5,8-10,12-17,23H,6-7,11,18-22H2,(H,32,36).
What are the key properties of 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide?
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 68738018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).