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

C27H32N4O2 — CID 68737746

IUPACN-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C27H32N4O2/c1-2-3-4-7-14-28-26(32)24-12-13-25(29-20-24)30-15-17-31(18-16-30)27(33)23-11-10-21-8-5-6-9-22(21)19-23/h5-6,8-13,19-20H,2-4,7,14-18H2,1H3,(H,28,32)
InChIKeyNVCJDZWOVUMCCA-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.51
Rot. Bonds8

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

N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68737746) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68737746
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C27H32N4O2/c1-2-3-4-7-14-28-26(32)24-12-13-25(29-20-24)30-15-17-31(18-16-30)27(33)23-11-10-21-8-5-6-9-22(21)19-23/h5-6,8-13,19-20H,2-4,7,14-18H2,1H3,(H,28,32)
InChIKeyNVCJDZWOVUMCCA-UHFFFAOYSA-N
XLogP4.51
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.51
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

N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-pentylnaphthalene-2-carboxamide
CID 91722098
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68738018
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
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
N-(2-ethylsulfanylethyl)-6-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68739731

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68737746) is N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NVCJDZWOVUMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-2-3-4-7-14-28-26(32)24-12-13-25(29-20-24)30-15-17-31(18-16-30)27(33)23-11-10-21-8-5-6-9-22(21)19-23/h5-6,8-13,19-20H,2-4,7,14-18H2,1H3,(H,28,32).
What are the key properties of N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68737746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).