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

C25H29N5O3S — CID 169147106

IUPAC(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc(=C/N)/c1=C(\N)OCC1(SC2CCC2)CC1
InChIInChI=1S/C25H29N5O3S/c1-30-21(22(28)33-15-25(9-10-25)34-19-3-2-4-19)18(13-27)11-20(24(30)32)23(31)29-14-17-7-5-16(12-26)6-8-17/h5-8,11,13,19H,2-4,9-10,14-15,27-28H2,1H3,(H,29,31)/b18-13-,22-21-
InChIKeyYOSDCEZBXZENFV-WJACMBERSA-N
MW479.61 g/mol
LogP0.74
Rot. Bonds8

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

(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147106) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147106
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc(=C/N)/c1=C(\N)OCC1(SC2CCC2)CC1
InChIInChI=1S/C25H29N5O3S/c1-30-21(22(28)33-15-25(9-10-25)34-19-3-2-4-19)18(13-27)11-20(24(30)32)23(31)29-14-17-7-5-16(12-26)6-8-17/h5-8,11,13,19H,2-4,9-10,14-15,27-28H2,1H3,(H,29,31)/b18-13-,22-21-
InChIKeyYOSDCEZBXZENFV-WJACMBERSA-N
XLogP0.74
TPSA136.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)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-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147106) is (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)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-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(C#N)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-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is YOSDCEZBXZENFV-WJACMBERSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-30-21(22(28)33-15-25(9-10-25)34-19-3-2-4-19)18(13-27)11-20(24(30)32)23(31)29-14-17-7-5-16(12-26)6-8-17/h5-8,11,13,19H,2-4,9-10,14-15,27-28H2,1H3,(H,29,31)/b18-13-,22-21-.
What are the key properties of (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-[amino-[(1-cyclobutylsulfanylcyclopropyl)methoxy]methylidene]-5-(aminomethylidene)-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).