N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide

C15H24N4O — CID 63212001

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(NN)c(C)c2)C1
InChIInChI=1S/C15H24N4O/c1-3-19-7-6-12(10-19)9-17-15(20)13-4-5-14(18-16)11(2)8-13/h4-5,8,12,18H,3,6-7,9-10,16H2,1-2H3,(H,17,20)
InChIKeyBBBLCLPLJGAKRR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 63212001) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID63212001
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCCN1CCC(CNC(=O)c2ccc(NN)c(C)c2)C1
InChIInChI=1S/C15H24N4O/c1-3-19-7-6-12(10-19)9-17-15(20)13-4-5-14(18-16)11(2)8-13/h4-5,8,12,18H,3,6-7,9-10,16H2,1-2H3,(H,17,20)
InChIKeyBBBLCLPLJGAKRR-UHFFFAOYSA-N
XLogP1.35
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107023461
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide (CID 63212001) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide is CCN1CCC(CNC(=O)c2ccc(NN)c(C)c2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is BBBLCLPLJGAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-19-7-6-12(10-19)9-17-15(20)13-4-5-14(18-16)11(2)8-13/h4-5,8,12,18H,3,6-7,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63212001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).