6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide

C18H20N6O2S — CID 123617312

IUPAC6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1ccc(C(N)=O)c(Nc2csc3ncccc23)n1
InChIInChI=1S/C18H20N6O2S/c1-3-13(16(20)26)24(2)14-7-6-11(15(19)25)17(23-14)22-12-9-27-18-10(12)5-4-8-21-18/h4-9,13H,3H2,1-2H3,(H2,19,25)(H2,20,26)(H,22,23)
InChIKeyWVDQGVXOTRZXMF-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.23
Rot. Bonds7

About 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 123617312) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID123617312
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1ccc(C(N)=O)c(Nc2csc3ncccc23)n1
InChIInChI=1S/C18H20N6O2S/c1-3-13(16(20)26)24(2)14-7-6-11(15(19)25)17(23-14)22-12-9-27-18-10(12)5-4-8-21-18/h4-9,13H,3H2,1-2H3,(H2,19,25)(H2,20,26)(H,22,23)
InChIKeyWVDQGVXOTRZXMF-UHFFFAOYSA-N
XLogP2.23
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide
CID 123761741
6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
CID 69284913
2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
CID 123302615
2-[[3,3-difluoro-2-(methylamino)cyclohexyl]amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
CID 123739081
(1-amino-1-oxobutan-2-yl)-[5-carbamoyl-4-(quinolin-7-ylamino)pyrimidin-2-yl]-dimethylazanium
CID 123760565
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 123968917
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
CID 15342494
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-thieno[2,3-b]pyridin-3-ylacetic acid
CID 82402092
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101
2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 140609649

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide (CID 123617312) is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide is CCC(C(N)=O)N(C)c1ccc(C(N)=O)c(Nc2csc3ncccc23)n1.
What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is WVDQGVXOTRZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-3-13(16(20)26)24(2)14-7-6-11(15(19)25)17(23-14)22-12-9-27-18-10(12)5-4-8-21-18/h4-9,13H,3H2,1-2H3,(H2,19,25)(H2,20,26)(H,22,23).
What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123617312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).