(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide

C22H29N5O4 — CID 134604396

IUPAC(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide
SMILESCc1ccc(-c2noc(C)c2CO/C(N)=C/C=C(\N)C(=O)NC2CCCC(O)C2)cn1
InChIInChI=1S/C22H29N5O4/c1-13-6-7-15(11-25-13)21-18(14(2)31-27-21)12-30-20(24)9-8-19(23)22(29)26-16-4-3-5-17(28)10-16/h6-9,11,16-17,28H,3-5,10,12,23-24H2,1-2H3,(H,26,29)/b19-8-,20-9+
InChIKeyWRWCWNKRGJSPQL-CQXXYOPLSA-N
MW427.51 g/mol
LogP1.93
Rot. Bonds7

About (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide

(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide (PubChem CID 134604396) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide
PubChem CID134604396
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide
SMILESCc1ccc(-c2noc(C)c2CO/C(N)=C/C=C(\N)C(=O)NC2CCCC(O)C2)cn1
InChIInChI=1S/C22H29N5O4/c1-13-6-7-15(11-25-13)21-18(14(2)31-27-21)12-30-20(24)9-8-19(23)22(29)26-16-4-3-5-17(28)10-16/h6-9,11,16-17,28H,3-5,10,12,23-24H2,1-2H3,(H,26,29)/b19-8-,20-9+
InChIKeyWRWCWNKRGJSPQL-CQXXYOPLSA-N
XLogP1.93
TPSA149.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139529922
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
4-(methoxymethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 147938955
N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134604392
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588347
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
ethyl 5-methyl-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
CID 139529969
N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588497
N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139546813

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide (CID 134604396) is (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide is Cc1ccc(-c2noc(C)c2CO/C(N)=C/C=C(\N)C(=O)NC2CCCC(O)C2)cn1.
What is the InChIKey of (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide?
The InChIKey is WRWCWNKRGJSPQL-CQXXYOPLSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-13-6-7-15(11-25-13)21-18(14(2)31-27-21)12-30-20(24)9-8-19(23)22(29)26-16-4-3-5-17(28)10-16/h6-9,11,16-17,28H,3-5,10,12,23-24H2,1-2H3,(H,26,29)/b19-8-,20-9+.
What are the key properties of (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide?
(2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide has a molecular weight of 427.51 g/mol, XLogP of 1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-diamino-N-(3-hydroxycyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]penta-2,4-dienamide is sourced from PubChem (CID 134604396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).