6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide

C17H20N4O2 — CID 71864806

IUPAC6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N(CCO)CC2CC2)nn1
InChIInChI=1S/C17H20N4O2/c22-11-10-21(12-13-6-7-13)16-9-8-15(19-20-16)17(23)18-14-4-2-1-3-5-14/h1-5,8-9,13,22H,6-7,10-12H2,(H,18,23)
InChIKeyIRBAUYOYZDEKNH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.94
Rot. Bonds7

About 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide

6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 71864806) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide
PubChem CID71864806
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N(CCO)CC2CC2)nn1
InChIInChI=1S/C17H20N4O2/c22-11-10-21(12-13-6-7-13)16-9-8-15(19-20-16)17(23)18-14-4-2-1-3-5-14/h1-5,8-9,13,22H,6-7,10-12H2,(H,18,23)
InChIKeyIRBAUYOYZDEKNH-UHFFFAOYSA-N
XLogP1.94
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide (CID 71864806) is 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N(CCO)CC2CC2)nn1.
What is the InChIKey of 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is IRBAUYOYZDEKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-11-10-21(12-13-6-7-13)16-9-8-15(19-20-16)17(23)18-14-4-2-1-3-5-14/h1-5,8-9,13,22H,6-7,10-12H2,(H,18,23).
What are the key properties of 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide?
6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 71864806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).