3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide

C13H17N5O — CID 67707532

IUPAC3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide
SMILESCn1cnc(CCC(=O)NNCc2cccnc2)c1
InChIInChI=1S/C13H17N5O/c1-18-9-12(15-10-18)4-5-13(19)17-16-8-11-3-2-6-14-7-11/h2-3,6-7,9-10,16H,4-5,8H2,1H3,(H,17,19)
InChIKeyMQZHYRKHYWBSKH-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.57
Rot. Bonds6

About 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide

3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide (PubChem CID 67707532) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide
PubChem CID67707532
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide
SMILESCn1cnc(CCC(=O)NNCc2cccnc2)c1
InChIInChI=1S/C13H17N5O/c1-18-9-12(15-10-18)4-5-13(19)17-16-8-11-3-2-6-14-7-11/h2-3,6-7,9-10,16H,4-5,8H2,1H3,(H,17,19)
InChIKeyMQZHYRKHYWBSKH-UHFFFAOYSA-N
XLogP0.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone
CID 112532326
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
(pyridin-3-ylmethylamino)thiourea;hydrochloride
CID 21152363
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide?
The IUPAC name of 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide (CID 67707532) is 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide is Cn1cnc(CCC(=O)NNCc2cccnc2)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide?
The InChIKey is MQZHYRKHYWBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-9-12(15-10-18)4-5-13(19)17-16-8-11-3-2-6-14-7-11/h2-3,6-7,9-10,16H,4-5,8H2,1H3,(H,17,19).
What are the key properties of 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide?
3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide has a molecular weight of 259.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide is sourced from PubChem (CID 67707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).