N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide

C18H20N6O3 — CID 56650330

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ncccc3n2)cc1C(=O)NCCCN
InChIInChI=1S/C18H20N6O3/c1-27-15-6-5-12(10-13(15)17(25)20-8-3-7-19)22-18(26)14-11-24-16(23-14)4-2-9-21-24/h2,4-6,9-11H,3,7-8,19H2,1H3,(H,20,25)(H,22,26)
InChIKeyCHRCDEVBAKQXGN-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.07
Rot. Bonds7

About N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 56650330) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID56650330
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ncccc3n2)cc1C(=O)NCCCN
InChIInChI=1S/C18H20N6O3/c1-27-15-6-5-12(10-13(15)17(25)20-8-3-7-19)22-18(26)14-11-24-16(23-14)4-2-9-21-24/h2,4-6,9-11H,3,7-8,19H2,1H3,(H,20,25)(H,22,26)
InChIKeyCHRCDEVBAKQXGN-UHFFFAOYSA-N
XLogP1.07
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 56650330) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide is COc1ccc(NC(=O)c2cn3ncccc3n2)cc1C(=O)NCCCN.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is CHRCDEVBAKQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-15-6-5-12(10-13(15)17(25)20-8-3-7-19)22-18(26)14-11-24-16(23-14)4-2-9-21-24/h2,4-6,9-11H,3,7-8,19H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 56650330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).