2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide

C30H34N4O2 — CID 90919715

IUPAC2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESC=C1C=CC=C(c2ccc(CC(=O)Nc3ccc(N4CCN(C(=O)C(C)C)CC4)cn3)cc2)C=C1C
InChIInChI=1S/C30H34N4O2/c1-21(2)30(36)34-16-14-33(15-17-34)27-12-13-28(31-20-27)32-29(35)19-24-8-10-25(11-9-24)26-7-5-6-22(3)23(4)18-26/h5-13,18,20-21H,3,14-17,19H2,1-2,4H3,(H,31,32,35)
InChIKeyUKKWTLZJJLDCHZ-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.02
Rot. Bonds6

About 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide

2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 90919715) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide
PubChem CID90919715
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide
SMILESC=C1C=CC=C(c2ccc(CC(=O)Nc3ccc(N4CCN(C(=O)C(C)C)CC4)cn3)cc2)C=C1C
InChIInChI=1S/C30H34N4O2/c1-21(2)30(36)34-16-14-33(15-17-34)27-12-13-28(31-20-27)32-29(35)19-24-8-10-25(11-9-24)26-7-5-6-22(3)23(4)18-26/h5-13,18,20-21H,3,14-17,19H2,1-2,4H3,(H,31,32,35)
InChIKeyUKKWTLZJJLDCHZ-UHFFFAOYSA-N
XLogP5.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(4-buta-1,3-dien-2-yl-3-fluorophenyl)acetamide
CID 91261935
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029352
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]acetamide
CID 46927436
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113030714
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
CID 58447755

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide (CID 90919715) is 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide is C=C1C=CC=C(c2ccc(CC(=O)Nc3ccc(N4CCN(C(=O)C(C)C)CC4)cn3)cc2)C=C1C.
What is the InChIKey of 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide?
The InChIKey is UKKWTLZJJLDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-21(2)30(36)34-16-14-33(15-17-34)27-12-13-28(31-20-27)32-29(35)19-24-8-10-25(11-9-24)26-7-5-6-22(3)23(4)18-26/h5-13,18,20-21H,3,14-17,19H2,1-2,4H3,(H,31,32,35).
What are the key properties of 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide?
2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 482.63 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-5-methylidenecyclohepta-1,3,6-trien-1-yl)phenyl]-N-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 90919715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).