(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C24H29FN6O3S — CID 170101748

IUPAC(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCN(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)c(F)c3)c(=O)n2C)CC1
InChIInChI=1S/C24H29FN6O3S/c1-4-30(2)35-24(7-8-24)14-34-21(28)20-17(12-27)10-18(23(33)31(20)3)22(32)29-13-15-5-6-16(11-26)19(25)9-15/h5-6,9-10,12H,4,7-8,13-14,27-28H2,1-3H3,(H,29,32)/b17-12-,21-20-
InChIKeyHUHILCLZLMRVML-RRZDCZAYSA-N
MW500.60 g/mol
LogP0.20
Rot. Bonds9

About (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 170101748) has the molecular formula C24H29FN6O3S and a molecular weight of 500.60 g/mol. Its IUPAC name is (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID170101748
Molecular FormulaC24H29FN6O3S
Molecular Weight500.60 g/mol
Exact Mass500.20
IUPAC Name(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCN(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)c(F)c3)c(=O)n2C)CC1
InChIInChI=1S/C24H29FN6O3S/c1-4-30(2)35-24(7-8-24)14-34-21(28)20-17(12-27)10-18(23(33)31(20)3)22(32)29-13-15-5-6-16(11-26)19(25)9-15/h5-6,9-10,12H,4,7-8,13-14,27-28H2,1-3H3,(H,29,32)/b17-12-,21-20-
InChIKeyHUHILCLZLMRVML-RRZDCZAYSA-N
XLogP0.20
TPSA139.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)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-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 170101748) is (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is CCN(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)c(F)c3)c(=O)n2C)CC1.
What is the InChIKey of (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HUHILCLZLMRVML-RRZDCZAYSA-N. The full InChI is InChI=1S/C24H29FN6O3S/c1-4-30(2)35-24(7-8-24)14-34-21(28)20-17(12-27)10-18(23(33)31(20)3)22(32)29-13-15-5-6-16(11-26)19(25)9-15/h5-6,9-10,12H,4,7-8,13-14,27-28H2,1-3H3,(H,29,32)/b17-12-,21-20-.
What are the key properties of (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-[amino-[[1-[ethyl(methyl)amino]sulfanylcyclopropyl]methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 170101748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).