N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide

C24H31N5O3 — CID 70030685

IUPACN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1)C(=O)C(N)=O
InChIInChI=1S/C24H31N5O3/c1-2-3-11-20(21(30)22(25)31)27-24(32)19-10-7-12-26-23(19)29-15-13-28(14-16-29)17-18-8-5-4-6-9-18/h4-10,12,20H,2-3,11,13-17H2,1H3,(H2,25,31)(H,27,32)
InChIKeyZIKDIZNYIKKPMM-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.75
Rot. Bonds10

About N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide

N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 70030685) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID70030685
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1)C(=O)C(N)=O
InChIInChI=1S/C24H31N5O3/c1-2-3-11-20(21(30)22(25)31)27-24(32)19-10-7-12-26-23(19)29-15-13-28(14-16-29)17-18-8-5-4-6-9-18/h4-10,12,20H,2-3,11,13-17H2,1H3,(H2,25,31)(H,27,32)
InChIKeyZIKDIZNYIKKPMM-UHFFFAOYSA-N
XLogP1.75
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 18536272
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66719963
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-benzylpiperazin-1-yl)pyridine-4-carboxamide
CID 70035935
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 66996094
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide
CID 42702868
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66719988
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethenyl]benzamide
CID 54253461

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide (CID 70030685) is N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1)C(=O)C(N)=O.
What is the InChIKey of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZIKDIZNYIKKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-2-3-11-20(21(30)22(25)31)27-24(32)19-10-7-12-26-23(19)29-15-13-28(14-16-29)17-18-8-5-4-6-9-18/h4-10,12,20H,2-3,11,13-17H2,1H3,(H2,25,31)(H,27,32).
What are the key properties of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide?
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 70030685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).