3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide

C14H22N4O2 — CID 123528084

IUPAC3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
SMILESCNN(C(=O)c1ncccc1C(C)=O)C(C)CN(C)C
InChIInChI=1S/C14H22N4O2/c1-10(9-17(4)5)18(15-3)14(20)13-12(11(2)19)7-6-8-16-13/h6-8,10,15H,9H2,1-5H3
InChIKeyLAEBBUMQIUECPY-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.81
Rot. Bonds6

About 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide

3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide (PubChem CID 123528084) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
PubChem CID123528084
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
SMILESCNN(C(=O)c1ncccc1C(C)=O)C(C)CN(C)C
InChIInChI=1S/C14H22N4O2/c1-10(9-17(4)5)18(15-3)14(20)13-12(11(2)19)7-6-8-16-13/h6-8,10,15H,9H2,1-5H3
InChIKeyLAEBBUMQIUECPY-UHFFFAOYSA-N
XLogP0.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 122448607
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 148897885
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
CID 125436111
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
methyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]pyridine-3-carboxylate
CID 102350868

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide?
The IUPAC name of 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide (CID 123528084) is 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide.
What is the SMILES notation for 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide?
The canonical SMILES for 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide is CNN(C(=O)c1ncccc1C(C)=O)C(C)CN(C)C.
What is the InChIKey of 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide?
The InChIKey is LAEBBUMQIUECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(9-17(4)5)18(15-3)14(20)13-12(11(2)19)7-6-8-16-13/h6-8,10,15H,9H2,1-5H3.
What are the key properties of 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide?
3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide has a molecular weight of 278.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide is sourced from PubChem (CID 123528084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).