N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide

C15H18N4O3 — CID 60509400

IUPACN'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNc2nccc(OC)n2)c1
InChIInChI=1S/C15H18N4O3/c1-3-9-22-12-6-4-5-11(10-12)14(20)18-19-15-16-8-7-13(17-15)21-2/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyATMCENDBSSOGOE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.03
Rot. Bonds7

About N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide

N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide (PubChem CID 60509400) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide
PubChem CID60509400
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide
SMILESCCCOc1cccc(C(=O)NNc2nccc(OC)n2)c1
InChIInChI=1S/C15H18N4O3/c1-3-9-22-12-6-4-5-11(10-12)14(20)18-19-15-16-8-7-13(17-15)21-2/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyATMCENDBSSOGOE-UHFFFAOYSA-N
XLogP2.03
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
CID 60549753
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
CID 55619649
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
N'-(3-ethoxypropanoyl)-3-propoxybenzohydrazide
CID 17357962
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
CID 55619349

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide (CID 60509400) is N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide is CCCOc1cccc(C(=O)NNc2nccc(OC)n2)c1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide?
The InChIKey is ATMCENDBSSOGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-9-22-12-6-4-5-11(10-12)14(20)18-19-15-16-8-7-13(17-15)21-2/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide?
N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide has a molecular weight of 302.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-3-propoxybenzohydrazide is sourced from PubChem (CID 60509400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).