6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C30H43N7O — CID 177354566

IUPAC6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCNC1C=CC(c2ccnc(C)c2/C=C(\C)CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)N(C)N1C
InChIInChI=1S/C30H43N7O/c1-21(18-26-22(2)32-15-12-25(26)28-10-11-29(31-3)36(7)35(28)6)20-37-16-13-23(14-17-37)27-9-8-24(19-33-27)30(38)34(4)5/h8-12,15,18-19,23,28-29,31H,13-14,16-17,20H2,1-7H3/b21-18+
InChIKeyPNNSUABAEFDSTI-DYTRJAOYSA-N
MW517.72 g/mol
LogP3.70
Rot. Bonds7

About 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 177354566) has the molecular formula C30H43N7O and a molecular weight of 517.72 g/mol. Its IUPAC name is 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID177354566
Molecular FormulaC30H43N7O
Molecular Weight517.72 g/mol
Exact Mass517.35
IUPAC Name6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCNC1C=CC(c2ccnc(C)c2/C=C(\C)CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)N(C)N1C
InChIInChI=1S/C30H43N7O/c1-21(18-26-22(2)32-15-12-25(26)28-10-11-29(31-3)36(7)35(28)6)20-37-16-13-23(14-17-37)27-9-8-24(19-33-27)30(38)34(4)5/h8-12,15,18-19,23,28-29,31H,13-14,16-17,20H2,1-7H3/b21-18+
InChIKeyPNNSUABAEFDSTI-DYTRJAOYSA-N
XLogP3.70
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 177354566) is 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is CNC1C=CC(c2ccnc(C)c2/C=C(\C)CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)N(C)N1C.
What is the InChIKey of 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PNNSUABAEFDSTI-DYTRJAOYSA-N. The full InChI is InChI=1S/C30H43N7O/c1-21(18-26-22(2)32-15-12-25(26)28-10-11-29(31-3)36(7)35(28)6)20-37-16-13-23(14-17-37)27-9-8-24(19-33-27)30(38)34(4)5/h8-12,15,18-19,23,28-29,31H,13-14,16-17,20H2,1-7H3/b21-18+.
What are the key properties of 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 517.72 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(E)-3-[4-[1,2-dimethyl-6-(methylamino)-3,6-dihydropyridazin-3-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 177354566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).