3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

C12H18N4O3 — CID 105071103

IUPAC3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccncc1N
InChIInChI=1S/C12H18N4O3/c1-8(11(17)15-5-6-19-2)16-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQWCJTOIHHQPDCK-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.46
Rot. Bonds6

About 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 105071103) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID105071103
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccncc1N
InChIInChI=1S/C12H18N4O3/c1-8(11(17)15-5-6-19-2)16-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQWCJTOIHHQPDCK-UHFFFAOYSA-N
XLogP-0.46
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
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-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 80707403
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
4-amino-3-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107075942
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
3-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-4-carboxamide
CID 105069963
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 105071103) is 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is COCCNC(=O)C(C)NC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is QWCJTOIHHQPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(11(17)15-5-6-19-2)16-12(18)9-3-4-14-7-10(9)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 105071103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).