N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide

C24H28N4O — CID 175643698

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cccc3c(-c4ccncc4)cccc23)CC1
InChIInChI=1S/C24H28N4O/c1-27-15-17-28(18-16-27)14-4-11-26-24(29)23-8-3-6-21-20(5-2-7-22(21)23)19-9-12-25-13-10-19/h2-3,5-10,12-13H,4,11,14-18H2,1H3,(H,26,29)
InChIKeyVLCSNQXPWOZLNJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.27
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide (PubChem CID 175643698) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide
PubChem CID175643698
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cccc3c(-c4ccncc4)cccc23)CC1
InChIInChI=1S/C24H28N4O/c1-27-15-17-28(18-16-27)14-4-11-26-24(29)23-8-3-6-21-20(5-2-7-22(21)23)19-9-12-25-13-10-19/h2-3,5-10,12-13H,4,11,14-18H2,1H3,(H,26,29)
InChIKeyVLCSNQXPWOZLNJ-UHFFFAOYSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.27
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

2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-(pyridin-4-ylcarbamoyl)phenyl]methyl]benzamide
CID 158740294
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide (CID 175643698) is N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide is CN1CCN(CCCNC(=O)c2cccc3c(-c4ccncc4)cccc23)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide?
The InChIKey is VLCSNQXPWOZLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27-15-17-28(18-16-27)14-4-11-26-24(29)23-8-3-6-21-20(5-2-7-22(21)23)19-9-12-25-13-10-19/h2-3,5-10,12-13H,4,11,14-18H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 175643698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).