N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H21N7O — CID 122320799

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C17H21N7O/c1-12-16(24-9-5-4-6-15(24)21-12)17(25)19-8-7-18-14-10-13(23(2)3)11-20-22-14/h4-6,9-11H,7-8H2,1-3H3,(H,18,22)(H,19,25)
InChIKeyVJOMRSMPQZDGMM-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122320799) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122320799
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C17H21N7O/c1-12-16(24-9-5-4-6-15(24)21-12)17(25)19-8-7-18-14-10-13(23(2)3)11-20-22-14/h4-6,9-11H,7-8H2,1-3H3,(H,18,22)(H,19,25)
InChIKeyVJOMRSMPQZDGMM-UHFFFAOYSA-N
XLogP1.34
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122295413
2-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122308603
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
CID 122320804
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122320823
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122320842
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122320774
N-[2-(furan-3-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90558299
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122320841
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122320883
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122320941
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 122320799) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCCNc1cc(N(C)C)cnn1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VJOMRSMPQZDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-16(24-9-5-4-6-15(24)21-12)17(25)19-8-7-18-14-10-13(23(2)3)11-20-22-14/h4-6,9-11H,7-8H2,1-3H3,(H,18,22)(H,19,25).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122320799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).