(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

C24H31ClN6O4S — CID 169147453

IUPAC(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
SMILESCN(C)C(=O)CNSC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C24H31ClN6O4S/c1-30(2)19(32)13-29-36-24(8-9-24)14-35-21(27)20-16(11-26)10-18(23(34)31(20)3)22(33)28-12-15-4-6-17(25)7-5-15/h4-7,10-11,29H,8-9,12-14,26-27H2,1-3H3,(H,28,33)/b16-11-,21-20-
InChIKeyLZIHQXIZFPEACA-HBDKKIGRSA-N
MW535.07 g/mol
LogP-0.44
Rot. Bonds10

About (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

(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 (PubChem CID 169147453) has the molecular formula C24H31ClN6O4S and a molecular weight of 535.07 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169147453
Molecular FormulaC24H31ClN6O4S
Molecular Weight535.07 g/mol
Exact Mass534.18
IUPAC Name(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
SMILESCN(C)C(=O)CNSC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C24H31ClN6O4S/c1-30(2)19(32)13-29-36-24(8-9-24)14-35-21(27)20-16(11-26)10-18(23(34)31(20)3)22(33)28-12-15-4-6-17(25)7-5-15/h4-7,10-11,29H,8-9,12-14,26-27H2,1-3H3,(H,28,33)/b16-11-,21-20-
InChIKeyLZIHQXIZFPEACA-HBDKKIGRSA-N
XLogP-0.44
TPSA144.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.07
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)C(=O)CNSC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1.
What is the InChIKey of (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?
The InChIKey is LZIHQXIZFPEACA-HBDKKIGRSA-N. The full InChI is InChI=1S/C24H31ClN6O4S/c1-30(2)19(32)13-29-36-24(8-9-24)14-35-21(27)20-16(11-26)10-18(23(34)31(20)3)22(33)28-12-15-4-6-17(25)7-5-15/h4-7,10-11,29H,8-9,12-14,26-27H2,1-3H3,(H,28,33)/b16-11-,21-20-.
What are the key properties of (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?
(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 has a molecular weight of 535.07 g/mol, XLogP of -0.44, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169147453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).