N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide

C14H15ClN4O2 — CID 62238327

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(NN)ccn1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-11(13(21-2)7-10(8)15)18-14(20)12-6-9(19-16)3-4-17-12/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSZPLDIQLPWXIA-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.59
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide (PubChem CID 62238327) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
PubChem CID62238327
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(NN)ccn1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-11(13(21-2)7-10(8)15)18-14(20)12-6-9(19-16)3-4-17-12/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSZPLDIQLPWXIA-UHFFFAOYSA-N
XLogP2.59
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide (CID 62238327) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(NN)ccn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The InChIKey is ZSZPLDIQLPWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-5-11(13(21-2)7-10(8)15)18-14(20)12-6-9(19-16)3-4-17-12/h3-7H,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62238327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).