(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C30H40N4O4 — CID 142921184

IUPAC(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESC/C=C\C.CC.Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)C1=CCCC(O)=C1
InChIInChI=1S/C24H26N4O4.C4H8.C2H6/c1-16-5-6-19(15-21(16)27-24(31)17-3-2-4-20(29)13-17)26-23(30)18-7-8-25-22(14-18)28-9-11-32-12-10-28;1-3-4-2;1-2/h3,5-8,13-15,29H,2,4,9-12H2,1H3,(H,26,30)(H,27,31);3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyYEWURQITZKZZDU-LWFKIUJUSA-N
MW520.67 g/mol
LogP6.19
Rot. Bonds5

About (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide

(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 142921184) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID142921184
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC Name(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESC/C=C\C.CC.Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)C1=CCCC(O)=C1
InChIInChI=1S/C24H26N4O4.C4H8.C2H6/c1-16-5-6-19(15-21(16)27-24(31)17-3-2-4-20(29)13-17)26-23(30)18-7-8-25-22(14-18)28-9-11-32-12-10-28;1-3-4-2;1-2/h3,5-8,13-15,29H,2,4,9-12H2,1H3,(H,26,30)(H,27,31);3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyYEWURQITZKZZDU-LWFKIUJUSA-N
XLogP6.19
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[[2-amino-5-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238157
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 142823381
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[1,2-c]triazine-6-carboxamide
CID 25008618
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 11258289
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
N-[3-[[6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-yl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 22732258
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 142921184) is (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide is C/C=C\C.CC.Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)C1=CCCC(O)=C1.
What is the InChIKey of (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is YEWURQITZKZZDU-LWFKIUJUSA-N. The full InChI is InChI=1S/C24H26N4O4.C4H8.C2H6/c1-16-5-6-19(15-21(16)27-24(31)17-3-2-4-20(29)13-17)26-23(30)18-7-8-25-22(14-18)28-9-11-32-12-10-28;1-3-4-2;1-2/h3,5-8,13-15,29H,2,4,9-12H2,1H3,(H,26,30)(H,27,31);3-4H,1-2H3;1-2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 520.67 g/mol, XLogP of 6.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 142921184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).