N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H19N5O — CID 120568178

IUPACN-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H19N5O/c1-11-4-5-12(17)10-14(11)18-16(22)13-6-7-15(20-19-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,22)
InChIKeyMNZACLTVISRPNA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.22
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 120568178) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID120568178
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H19N5O/c1-11-4-5-12(17)10-14(11)18-16(22)13-6-7-15(20-19-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,22)
InChIKeyMNZACLTVISRPNA-UHFFFAOYSA-N
XLogP2.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123538
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 56824383

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 120568178) is N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is MNZACLTVISRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-4-5-12(17)10-14(11)18-16(22)13-6-7-15(20-19-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,22).
What are the key properties of N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 120568178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).