N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C15H19N3O3 — CID 103113261

IUPACN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H19N3O3/c1-4-18(3)15(21)11(2)17-14(20)13-7-8-16-10-12(13)6-5-9-19/h7-8,10-11,19H,4,9H2,1-3H3,(H,17,20)
InChIKeyIXHYXVLMRDKARK-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.02
Rot. Bonds4

About N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 103113261) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID103113261
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H19N3O3/c1-4-18(3)15(21)11(2)17-14(20)13-7-8-16-10-12(13)6-5-9-19/h7-8,10-11,19H,4,9H2,1-3H3,(H,17,20)
InChIKeyIXHYXVLMRDKARK-UHFFFAOYSA-N
XLogP0.02
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66483246
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484405
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 103113261) is N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is CCN(C)C(=O)C(C)NC(=O)c1ccncc1C#CCO.
What is the InChIKey of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is IXHYXVLMRDKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(3)15(21)11(2)17-14(20)13-7-8-16-10-12(13)6-5-9-19/h7-8,10-11,19H,4,9H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 103113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).