2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide

C14H18N4O — CID 144804009

IUPAC2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide
SMILESCCC(c1ccccn1)C1NC=CC=C1C(=O)NN
InChIInChI=1S/C14H18N4O/c1-2-10(12-7-3-4-8-16-12)13-11(14(19)18-15)6-5-9-17-13/h3-10,13,17H,2,15H2,1H3,(H,18,19)
InChIKeyNXGPOPFYTCCAHK-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.98
Rot. Bonds4

About 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide

2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide (PubChem CID 144804009) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide
PubChem CID144804009
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide
SMILESCCC(c1ccccn1)C1NC=CC=C1C(=O)NN
InChIInChI=1S/C14H18N4O/c1-2-10(12-7-3-4-8-16-12)13-11(14(19)18-15)6-5-9-17-13/h3-10,13,17H,2,15H2,1H3,(H,18,19)
InChIKeyNXGPOPFYTCCAHK-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclopropylpropyl)pyridine
CID 154455035
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide?
The IUPAC name of 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide (CID 144804009) is 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide.
What is the SMILES notation for 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide?
The canonical SMILES for 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide is CCC(c1ccccn1)C1NC=CC=C1C(=O)NN.
What is the InChIKey of 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide?
The InChIKey is NXGPOPFYTCCAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-10(12-7-3-4-8-16-12)13-11(14(19)18-15)6-5-9-17-13/h3-10,13,17H,2,15H2,1H3,(H,18,19).
What are the key properties of 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide?
2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide has a molecular weight of 258.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylpropyl)-1,2-dihydropyridine-3-carbohydrazide is sourced from PubChem (CID 144804009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).