5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide

C12H18N4O2 — CID 54917105

IUPAC5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H18N4O2/c1-4-14-11(17)8(3)16-12(18)10-5-9(13)6-15-7(10)2/h5-6,8H,4,13H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyBVIBTJSLUKNDEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.23
Rot. Bonds4

About 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 54917105) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID54917105
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H18N4O2/c1-4-14-11(17)8(3)16-12(18)10-5-9(13)6-15-7(10)2/h5-6,8H,4,13H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyBVIBTJSLUKNDEO-UHFFFAOYSA-N
XLogP0.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
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CID 93467826
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
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methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238499
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide (CID 54917105) is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide is CCNC(=O)C(C)NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is BVIBTJSLUKNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-14-11(17)8(3)16-12(18)10-5-9(13)6-15-7(10)2/h5-6,8H,4,13H2,1-3H3,(H,14,17)(H,16,18).
What are the key properties of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide?
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 54917105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).