acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane

C38H59FN4O2 — CID 165395656

IUPACacetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane
SMILESC.C#C.CC.CC.CCC(NC)c1cc(CCNC)nc(-c2ccc(F)cc2)c1C.CCCC(=O)Nc1cc(C=O)ccc1C
InChIInChI=1S/C19H26FN3.C12H15NO2.2C2H6.C2H2.CH4/c1-5-18(22-4)17-12-16(10-11-21-3)23-19(13(17)2)14-6-8-15(20)9-7-14;1-3-4-12(15)13-11-7-10(8-14)6-5-9(11)2;3*1-2;/h6-9,12,18,21-22H,5,10-11H2,1-4H3;5-8H,3-4H2,1-2H3,(H,13,15);2*1-2H3;1-2H;1H4
InChIKeyVXKGWXPNZGZPKE-UHFFFAOYSA-N
MW622.91 g/mol
LogP9.11
Rot. Bonds11

About acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane

acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane (PubChem CID 165395656) has the molecular formula C38H59FN4O2 and a molecular weight of 622.91 g/mol. Its IUPAC name is acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane.

Molecular Properties

Compound Nameacetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane
PubChem CID165395656
Molecular FormulaC38H59FN4O2
Molecular Weight622.91 g/mol
Exact Mass622.46
IUPAC Nameacetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane
SMILESC.C#C.CC.CC.CCC(NC)c1cc(CCNC)nc(-c2ccc(F)cc2)c1C.CCCC(=O)Nc1cc(C=O)ccc1C
InChIInChI=1S/C19H26FN3.C12H15NO2.2C2H6.C2H2.CH4/c1-5-18(22-4)17-12-16(10-11-21-3)23-19(13(17)2)14-6-8-15(20)9-7-14;1-3-4-12(15)13-11-7-10(8-14)6-5-9(11)2;3*1-2;/h6-9,12,18,21-22H,5,10-11H2,1-4H3;5-8H,3-4H2,1-2H3,(H,13,15);2*1-2H3;1-2H;1H4
InChIKeyVXKGWXPNZGZPKE-UHFFFAOYSA-N
XLogP9.11
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.91
LogP ≤ 59.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane 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

6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 944250
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-1-(4-fluorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45278885
6-fluoro-N-(3-methoxypropyl)-2-methyl-4-quinolinecarboxamide
CID 2210580
2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184553
N-(3-acetylphenyl)-2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetamide;dihydrochloride
CID 90664436
3-[[2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzamide;dihydrochloride
CID 90664688
N-cyclohexyl(6-fluoro-2-methyl(4-quinolyl))carboxamide
CID 1166432
6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2957233
7-[(3-Acetamidopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 89554777
3-[(4-aminocyclohexyl)-ethylamino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,4,6-trimethyl-3-pyridinyl)methyl]benzamide
CID 146604905
N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
CID 137349392
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2163514

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane?
The IUPAC name of acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane (CID 165395656) is acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane.
What is the SMILES notation for acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane?
The canonical SMILES for acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane is C.C#C.CC.CC.CCC(NC)c1cc(CCNC)nc(-c2ccc(F)cc2)c1C.CCCC(=O)Nc1cc(C=O)ccc1C.
What is the InChIKey of acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane?
The InChIKey is VXKGWXPNZGZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3.C12H15NO2.2C2H6.C2H2.CH4/c1-5-18(22-4)17-12-16(10-11-21-3)23-19(13(17)2)14-6-8-15(20)9-7-14;1-3-4-12(15)13-11-7-10(8-14)6-5-9(11)2;3*1-2;/h6-9,12,18,21-22H,5,10-11H2,1-4H3;5-8H,3-4H2,1-2H3,(H,13,15);2*1-2H3;1-2H;1H4.
What are the key properties of acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane?
acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane has a molecular weight of 622.91 g/mol, XLogP of 9.11, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;1-[2-(4-fluorophenyl)-3-methyl-6-[2-(methylamino)ethyl]-4-pyridinyl]-N-methylpropan-1-amine;N-(5-formyl-2-methylphenyl)butanamide;methane is sourced from PubChem (CID 165395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).