N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C18H22N8O — CID 138037708

IUPACN-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(N2CCCC2)nn1)c1nccn1C
InChIInChI=1S/C18H22N8O/c1-24-11-7-19-16(24)15(17-20-8-12-25(17)2)21-18(27)13-5-6-14(23-22-13)26-9-3-4-10-26/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,27)
InChIKeyOJNJHEQFUKMLFZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.06
Rot. Bonds5

About N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 138037708) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID138037708
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(N2CCCC2)nn1)c1nccn1C
InChIInChI=1S/C18H22N8O/c1-24-11-7-19-16(24)15(17-20-8-12-25(17)2)21-18(27)13-5-6-14(23-22-13)26-9-3-4-10-26/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,27)
InChIKeyOJNJHEQFUKMLFZ-UHFFFAOYSA-N
XLogP1.06
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-pyrrolidin-1-yl-N-[(3S)-1,1,1-trifluorohex-5-yn-3-yl]pyridazine-3-carboxamide
CID 125420216
N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 167823637
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721

Frequently Asked Questions

What is the IUPAC name of N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 138037708) is N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is Cn1ccnc1C(NC(=O)c1ccc(N2CCCC2)nn1)c1nccn1C.
What is the InChIKey of N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is OJNJHEQFUKMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-24-11-7-19-16(24)15(17-20-8-12-25(17)2)21-18(27)13-5-6-14(23-22-13)26-9-3-4-10-26/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,27).
What are the key properties of N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 138037708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).