(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

C23H29ClN6O4S — CID 169146935

IUPAC(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
SMILESCNC(=O)CNSC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C23H29ClN6O4S/c1-27-18(31)12-29-35-23(7-8-23)13-34-20(26)19-15(10-25)9-17(22(33)30(19)2)21(32)28-11-14-3-5-16(24)6-4-14/h3-6,9-10,29H,7-8,11-13,25-26H2,1-2H3,(H,27,31)(H,28,32)/b15-10-,20-19-
InChIKeyKEESDBDNDRGSJP-VGWMENCHSA-N
MW521.04 g/mol
LogP-0.78
Rot. Bonds10

About (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

(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 (PubChem CID 169146935) has the molecular formula C23H29ClN6O4S and a molecular weight of 521.04 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169146935
Molecular FormulaC23H29ClN6O4S
Molecular Weight521.04 g/mol
Exact Mass520.17
IUPAC Name(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
SMILESCNC(=O)CNSC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2C)CC1
InChIInChI=1S/C23H29ClN6O4S/c1-27-18(31)12-29-35-23(7-8-23)13-34-20(26)19-15(10-25)9-17(22(33)30(19)2)21(32)28-11-14-3-5-16(24)6-4-14/h3-6,9-10,29H,7-8,11-13,25-26H2,1-2H3,(H,27,31)(H,28,32)/b15-10-,20-19-
InChIKeyKEESDBDNDRGSJP-VGWMENCHSA-N
XLogP-0.78
TPSA153.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.04
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
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-(methylamino)-2-oxoethyl]amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNC(=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-(methylamino)-2-oxoethyl]amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is KEESDBDNDRGSJP-VGWMENCHSA-N. The full InChI is InChI=1S/C23H29ClN6O4S/c1-27-18(31)12-29-35-23(7-8-23)13-34-20(26)19-15(10-25)9-17(22(33)30(19)2)21(32)28-11-14-3-5-16(24)6-4-14/h3-6,9-10,29H,7-8,11-13,25-26H2,1-2H3,(H,27,31)(H,28,32)/b15-10-,20-19-.
What are the key properties of (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?
(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 has a molecular weight of 521.04 g/mol, XLogP of -0.78, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169146935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).