N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide

C19H20N6O2 — CID 131904491

IUPACN-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1)c1ccnnc1
InChIInChI=1S/C19H20N6O2/c26-18(14-5-8-21-22-12-14)20-11-13-6-9-25(10-7-13)19(27)17-23-15-3-1-2-4-16(15)24-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,26)(H,23,24)
InChIKeyOTTTTXWXMYVKKP-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.64
Rot. Bonds4

About N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide

N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131904491) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
PubChem CID131904491
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1)c1ccnnc1
InChIInChI=1S/C19H20N6O2/c26-18(14-5-8-21-22-12-14)20-11-13-6-9-25(10-7-13)19(27)17-23-15-3-1-2-4-16(15)24-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,26)(H,23,24)
InChIKeyOTTTTXWXMYVKKP-UHFFFAOYSA-N
XLogP1.64
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 159318519
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131899772
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 137200046
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide
CID 57312430
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide (CID 131904491) is N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide is O=C(NCC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1)c1ccnnc1.
What is the InChIKey of N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is OTTTTXWXMYVKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-18(14-5-8-21-22-12-14)20-11-13-6-9-25(10-7-13)19(27)17-23-15-3-1-2-4-16(15)24-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,26)(H,23,24).
What are the key properties of N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide?
N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131904491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).