2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide

C26H48N6O — CID 178064386

IUPAC2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide
SMILESCN(C)CCN1CCN(CCCCCCCCCCCCNC(=O)c2cccnc2N)CC1
InChIInChI=1S/C26H48N6O/c1-30(2)18-19-32-22-20-31(21-23-32)17-12-10-8-6-4-3-5-7-9-11-15-29-26(33)24-14-13-16-28-25(24)27/h13-14,16H,3-12,15,17-23H2,1-2H3,(H2,27,28)(H,29,33)
InChIKeyGXVNSFROHGDIJN-UHFFFAOYSA-N
MW460.71 g/mol
LogP3.47
Rot. Bonds17

About 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide

2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide (PubChem CID 178064386) has the molecular formula C26H48N6O and a molecular weight of 460.71 g/mol. Its IUPAC name is 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide
PubChem CID178064386
Molecular FormulaC26H48N6O
Molecular Weight460.71 g/mol
Exact Mass460.39
IUPAC Name2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide
SMILESCN(C)CCN1CCN(CCCCCCCCCCCCNC(=O)c2cccnc2N)CC1
InChIInChI=1S/C26H48N6O/c1-30(2)18-19-32-22-20-31(21-23-32)17-12-10-8-6-4-3-5-7-9-11-15-29-26(33)24-14-13-16-28-25(24)27/h13-14,16H,3-12,15,17-23H2,1-2H3,(H2,27,28)(H,29,33)
InChIKeyGXVNSFROHGDIJN-UHFFFAOYSA-N
XLogP3.47
TPSA77.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
(2-chloro-3-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60715997
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
CID 115597344
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide (CID 178064386) is 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide is CN(C)CCN1CCN(CCCCCCCCCCCCNC(=O)c2cccnc2N)CC1.
What is the InChIKey of 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide?
The InChIKey is GXVNSFROHGDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N6O/c1-30(2)18-19-32-22-20-31(21-23-32)17-12-10-8-6-4-3-5-7-9-11-15-29-26(33)24-14-13-16-28-25(24)27/h13-14,16H,3-12,15,17-23H2,1-2H3,(H2,27,28)(H,29,33).
What are the key properties of 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide?
2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide has a molecular weight of 460.71 g/mol, XLogP of 3.47, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[12-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]dodecyl]pyridine-3-carboxamide is sourced from PubChem (CID 178064386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).