N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

C14H17N5O — CID 109109633

IUPACN-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C14H17N5O/c1-10(2)17-14(20)12-5-6-13(19-18-12)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUSTUSQDTYLYARJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds5

About N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109109633) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109109633
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C14H17N5O/c1-10(2)17-14(20)12-5-6-13(19-18-12)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUSTUSQDTYLYARJ-UHFFFAOYSA-N
XLogP1.62
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
CID 113042074
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (CID 109109633) is N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is USTUSQDTYLYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(2)17-14(20)12-5-6-13(19-18-12)16-9-11-4-3-7-15-8-11/h3-8,10H,9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).