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

C24H29N5O3S — CID 169147033

IUPAC(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)cc3)c(=O)n2C)CC1
InChIInChI=1S/C24H29N5O3S/c1-15(2)33-24(8-9-24)14-32-21(27)20-18(12-26)10-19(23(31)29(20)3)22(30)28-13-17-6-4-16(11-25)5-7-17/h4-7,10,12,15H,8-9,13-14,26-27H2,1-3H3,(H,28,30)/b18-12-,21-20-
InChIKeyGFENLFIXISARSD-RTPYTOBHSA-N
MW467.60 g/mol
LogP0.60
Rot. Bonds8

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

(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 169147033) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID169147033
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)cc3)c(=O)n2C)CC1
InChIInChI=1S/C24H29N5O3S/c1-15(2)33-24(8-9-24)14-32-21(27)20-18(12-26)10-19(23(31)29(20)3)22(30)28-13-17-6-4-16(11-25)5-7-17/h4-7,10,12,15H,8-9,13-14,26-27H2,1-3H3,(H,28,30)/b18-12-,21-20-
InChIKeyGFENLFIXISARSD-RTPYTOBHSA-N
XLogP0.60
TPSA136.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 169147033) is (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is CC(C)SC1(CO/C(N)=c2/c(=C\N)cc(C(=O)NCc3ccc(C#N)cc3)c(=O)n2C)CC1.
What is the InChIKey of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GFENLFIXISARSD-RTPYTOBHSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15(2)33-24(8-9-24)14-32-21(27)20-18(12-26)10-19(23(31)29(20)3)22(30)28-13-17-6-4-16(11-25)5-7-17/h4-7,10,12,15H,8-9,13-14,26-27H2,1-3H3,(H,28,30)/b18-12-,21-20-.
What are the key properties of (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
(5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-(aminomethylidene)-6-[amino-[(1-propan-2-ylsulfanylcyclopropyl)methoxy]methylidene]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 169147033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).