N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide

C15H26N4O3 — CID 70891250

IUPACN-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCCOc1c(C(=O)NCCNCCN)ccn(C)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-4-11-22-13-12(5-10-19(2)15(13)21)14(20)18-9-8-17-7-6-16/h5,10,17H,3-4,6-9,11,16H2,1-2H3,(H,18,20)
InChIKeySGKDZIAFUMPBOM-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.16
Rot. Bonds10

About N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 70891250) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID70891250
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCCOc1c(C(=O)NCCNCCN)ccn(C)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-4-11-22-13-12(5-10-19(2)15(13)21)14(20)18-9-8-17-7-6-16/h5,10,17H,3-4,6-9,11,16H2,1-2H3,(H,18,20)
InChIKeySGKDZIAFUMPBOM-UHFFFAOYSA-N
XLogP-0.16
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
CID 90075769
1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide
CID 10054072
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide
CID 102217181
3-(2-aminoethylcarbamoyl)-6-[2-[bis[2-[(1-methyl-3-oxido-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethylcarbamoyl]benzene-1,2-diolate
CID 102186161
1-N-[2-[bis(2-aminoethyl)amino]ethyl]-2,3-dihydroxy-4-N,4-N-bis[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethylamino]ethyl]benzene-1,4-dicarboxamide
CID 101422518
N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
CID 59067457
N-[2-(2-aminoethylamino)ethyl]-4-[(4-octoxyphenyl)diazenyl]benzamide
CID 101128117
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
butyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide (CID 70891250) is N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide is CCCCOc1c(C(=O)NCCNCCN)ccn(C)c1=O.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is SGKDZIAFUMPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-4-11-22-13-12(5-10-19(2)15(13)21)14(20)18-9-8-17-7-6-16/h5,10,17H,3-4,6-9,11,16H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of -0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 70891250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).