(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C24H29ClN4O3S — CID 169147293

IUPAC(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SC2CCC2)CC1
InChIInChI=1S/C24H29ClN4O3S/c1-29-20(21(27)32-14-24(9-10-24)33-18-3-2-4-18)16(12-26)11-19(23(29)31)22(30)28-13-15-5-7-17(25)8-6-15/h5-8,11-12,18H,2-4,9-10,13-14,26-27H2,1H3,(H,28,30)/b16-12-,21-20-
InChIKeyAQTKAOBBIKYWOC-BASNBYKJSA-N
MW489.04 g/mol
LogP1.52
Rot. Bonds8

About (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147293) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147293
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SC2CCC2)CC1
InChIInChI=1S/C24H29ClN4O3S/c1-29-20(21(27)32-14-24(9-10-24)33-18-3-2-4-18)16(12-26)11-19(23(29)31)22(30)28-13-15-5-7-17(25)8-6-15/h5-8,11-12,18H,2-4,9-10,13-14,26-27H2,1H3,(H,28,30)/b16-12-,21-20-
InChIKeyAQTKAOBBIKYWOC-BASNBYKJSA-N
XLogP1.52
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

(5Z,6Z)-6-[amino-[(1-cyclopropylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(3,4-difluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147150
(5Z,6Z)-6-[amino-[[1-[[2-(methylamino)-2-oxoethyl]amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169146935
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147033
(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147106
(5Z,6Z)-6-[amino-[[1-[cyanomethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147126
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[[1-(oxetan-3-ylsulfanyl)cyclopropyl]methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147240
(5Z,6Z)-5-(aminomethylidene)-6-[amino(4-thiaspiro[2.5]octan-8-yloxy)methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147347
(5Z,6Z)-6-[amino-[[1-[[2-(dimethylamino)-2-oxoethyl]amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147453
(5Z,6Z)-6-[amino-[[1-(hydroxyamino)sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 169147513
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 170101642
(5Z,6Z)-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-6-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxymethylidene]-1-methyl-2-oxopyridine-3-carboxamide
CID 170101764
ethyl 2-[[1-[[(Z)-amino-[(3Z)-3-(aminomethylidene)-5-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-6-oxo-2-pyridinylidene]methoxy]methyl]cyclopropyl]sulfanylamino]acetate
CID 170101777

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147293) is (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc(=C/N)/c1=C(\N)OCC1(SC2CCC2)CC1.
What is the InChIKey of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is AQTKAOBBIKYWOC-BASNBYKJSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-29-20(21(27)32-14-24(9-10-24)33-18-3-2-4-18)16(12-26)11-19(23(29)31)22(30)28-13-15-5-7-17(25)8-6-15/h5-8,11-12,18H,2-4,9-10,13-14,26-27H2,1H3,(H,28,30)/b16-12-,21-20-.
What are the key properties of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 489.04 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).