N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

C18H24N6O — CID 129336758

IUPACN-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nn1
InChIInChI=1S/C18H24N6O/c1-2-19-18(25)14-9-10-16(23-22-14)24-11-5-8-15(24)17-20-12-6-3-4-7-13(12)21-17/h9-10,15H,2-8,11H2,1H3,(H,19,25)(H,20,21)/t15-/m1/s1
InChIKeyRDNXNCHVOHMFNA-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.17
Rot. Bonds4

About N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 129336758) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID129336758
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nn1
InChIInChI=1S/C18H24N6O/c1-2-19-18(25)14-9-10-16(23-22-14)24-11-5-8-15(24)17-20-12-6-3-4-7-13(12)21-17/h9-10,15H,2-8,11H2,1H3,(H,19,25)(H,20,21)/t15-/m1/s1
InChIKeyRDNXNCHVOHMFNA-OAHLLOKOSA-N
XLogP2.17
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 129336758) is N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nn1.
What is the InChIKey of N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is RDNXNCHVOHMFNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-19-18(25)14-9-10-16(23-22-14)24-11-5-8-15(24)17-20-12-6-3-4-7-13(12)21-17/h9-10,15H,2-8,11H2,1H3,(H,19,25)(H,20,21)/t15-/m1/s1.
What are the key properties of N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 129336758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).