N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide

C23H29N5O — CID 109113696

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1
InChIInChI=1S/C23H29N5O/c29-23(24-15-14-18-6-2-1-3-7-18)21-12-13-22(27-26-21)25-19-8-10-20(11-9-19)28-16-4-5-17-28/h6,8-13H,1-5,7,14-17H2,(H,24,29)(H,25,27)
InChIKeyCQVPGXNRLQRHBJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide (PubChem CID 109113696) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
PubChem CID109113696
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1
InChIInChI=1S/C23H29N5O/c29-23(24-15-14-18-6-2-1-3-7-18)21-12-13-22(27-26-21)25-19-8-10-20(11-9-19)28-16-4-5-17-28/h6,8-13H,1-5,7,14-17H2,(H,24,29)(H,25,27)
InChIKeyCQVPGXNRLQRHBJ-UHFFFAOYSA-N
XLogP4.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943252
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide (CID 109113696) is N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(Nc2ccc(N3CCCC3)cc2)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
The InChIKey is CQVPGXNRLQRHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-23(24-15-14-18-6-2-1-3-7-18)21-12-13-22(27-26-21)25-19-8-10-20(11-9-19)28-16-4-5-17-28/h6,8-13H,1-5,7,14-17H2,(H,24,29)(H,25,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).