2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide

C14H21ClN4O2 — CID 62248956

IUPAC2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C1CC1
InChIInChI=1S/C14H21ClN4O2/c1-9(10-3-4-10)19(5-6-21-2)14(20)11-7-12(15)17-13(8-11)18-16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyBDIJIQZWFKDQJM-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.91
Rot. Bonds7

About 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide

2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 62248956) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID62248956
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C1CC1
InChIInChI=1S/C14H21ClN4O2/c1-9(10-3-4-10)19(5-6-21-2)14(20)11-7-12(15)17-13(8-11)18-16/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyBDIJIQZWFKDQJM-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79487727
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916
2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 102870600
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 62248956) is 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCN(C(=O)c1cc(Cl)nc(NN)c1)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is BDIJIQZWFKDQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-9(10-3-4-10)19(5-6-21-2)14(20)11-7-12(15)17-13(8-11)18-16/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62248956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).