6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

C17H22N6O — CID 129473090

IUPAC6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCc1nc2c(n1[C@H]1CCN(c3ccc(C(N)=O)nn3)C1)CCCC2
InChIInChI=1S/C17H22N6O/c1-11-19-13-4-2-3-5-15(13)23(11)12-8-9-22(10-12)16-7-6-14(17(18)24)20-21-16/h6-7,12H,2-5,8-10H2,1H3,(H2,18,24)/t12-/m0/s1
InChIKeyQGAMTAONYZPDRN-LBPRGKRZSA-N
MW326.40 g/mol
LogP1.41
Rot. Bonds3

About 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 129473090) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID129473090
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCc1nc2c(n1[C@H]1CCN(c3ccc(C(N)=O)nn3)C1)CCCC2
InChIInChI=1S/C17H22N6O/c1-11-19-13-4-2-3-5-15(13)23(11)12-8-9-22(10-12)16-7-6-14(17(18)24)20-21-16/h6-7,12H,2-5,8-10H2,1H3,(H2,18,24)/t12-/m0/s1
InChIKeyQGAMTAONYZPDRN-LBPRGKRZSA-N
XLogP1.41
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 129489315
6-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 80553434
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
1-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 127957643
5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 129488793
6-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971166
6-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971169
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201
6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
CID 176986123
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 129473090) is 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is Cc1nc2c(n1[C@H]1CCN(c3ccc(C(N)=O)nn3)C1)CCCC2.
What is the InChIKey of 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is QGAMTAONYZPDRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-19-13-4-2-3-5-15(13)23(11)12-8-9-22(10-12)16-7-6-14(17(18)24)20-21-16/h6-7,12H,2-5,8-10H2,1H3,(H2,18,24)/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 129473090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).