N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

C20H23N5O — CID 56709660

IUPACN-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESCc1c(CN2CCC(CNC(=O)c3cccnn3)C2)[nH]c2ccccc12
InChIInChI=1S/C20H23N5O/c1-14-16-5-2-3-6-17(16)23-19(14)13-25-10-8-15(12-25)11-21-20(26)18-7-4-9-22-24-18/h2-7,9,15,23H,8,10-13H2,1H3,(H,21,26)
InChIKeyRVQJZVBDHSGQJQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (PubChem CID 56709660) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
PubChem CID56709660
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESCc1c(CN2CCC(CNC(=O)c3cccnn3)C2)[nH]c2ccccc12
InChIInChI=1S/C20H23N5O/c1-14-16-5-2-3-6-17(16)23-19(14)13-25-10-8-15(12-25)11-21-20(26)18-7-4-9-22-24-18/h2-7,9,15,23H,8,10-13H2,1H3,(H,21,26)
InChIKeyRVQJZVBDHSGQJQ-UHFFFAOYSA-N
XLogP2.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212657
N-[[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212656
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
N-[[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 56710846
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42392111
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 126424203
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (CID 56709660) is N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is Cc1c(CN2CCC(CNC(=O)c3cccnn3)C2)[nH]c2ccccc12.
What is the InChIKey of N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is RVQJZVBDHSGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-16-5-2-3-6-17(16)23-19(14)13-25-10-8-15(12-25)11-21-20(26)18-7-4-9-22-24-18/h2-7,9,15,23H,8,10-13H2,1H3,(H,21,26).
What are the key properties of N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56709660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).