3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

C13H20N4O3 — CID 104741760

IUPAC3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C13H20N4O3/c1-17(9-11(18)15-7-4-8-20-2)13(19)12-10(14)5-3-6-16-12/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,18)
InChIKeyXNANWAQHTJSOBH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.11
Rot. Bonds7

About 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (PubChem CID 104741760) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
PubChem CID104741760
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C13H20N4O3/c1-17(9-11(18)15-7-4-8-20-2)13(19)12-10(14)5-3-6-16-12/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,18)
InChIKeyXNANWAQHTJSOBH-UHFFFAOYSA-N
XLogP-0.11
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354607
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60707787
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (CID 104741760) is 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is COCCCNC(=O)CN(C)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XNANWAQHTJSOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17(9-11(18)15-7-4-8-20-2)13(19)12-10(14)5-3-6-16-12/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104741760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).