3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide

C22H25N7O4S — CID 87159355

IUPAC3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccncc1NC(=O)Nc1nc2c(s1)CN(c1cnc(OC)c(OC)c1)CC2
InChIInChI=1S/C22H25N7O4S/c1-4-24-19(30)14-5-7-23-11-16(14)26-21(31)28-22-27-15-6-8-29(12-18(15)34-22)13-9-17(32-2)20(33-3)25-10-13/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,24,30)(H2,26,27,28,31)
InChIKeyUZJMXLYHPXBXEW-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.91
Rot. Bonds7

About 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide

3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide (PubChem CID 87159355) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
PubChem CID87159355
Molecular FormulaC22H25N7O4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC Name3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccncc1NC(=O)Nc1nc2c(s1)CN(c1cnc(OC)c(OC)c1)CC2
InChIInChI=1S/C22H25N7O4S/c1-4-24-19(30)14-5-7-23-11-16(14)26-21(31)28-22-27-15-6-8-29(12-18(15)34-22)13-9-17(32-2)20(33-3)25-10-13/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,24,30)(H2,26,27,28,31)
InChIKeyUZJMXLYHPXBXEW-UHFFFAOYSA-N
XLogP2.91
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide with MolForge

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Related Compounds

3-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
CID 87159095
1-[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-propoxyethyl)urea
CID 46872070
2-[[5-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 87074288
N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
CID 87159248
N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-piperidin-4-ylacetamide
CID 88564930
3-methoxy-N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 46872066
1-(5-chloro-2-methoxyphenyl)-3-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90532883
2-[[5-(2-oxo-1H-pyridin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 87074227
4-chloro-2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 51096037
2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 87159360
N-[5-(6-methoxypyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872178
1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180518

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide (CID 87159355) is 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide is CCNC(=O)c1ccncc1NC(=O)Nc1nc2c(s1)CN(c1cnc(OC)c(OC)c1)CC2.
What is the InChIKey of 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide?
The InChIKey is UZJMXLYHPXBXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4S/c1-4-24-19(30)14-5-7-23-11-16(14)26-21(31)28-22-27-15-6-8-29(12-18(15)34-22)13-9-17(32-2)20(33-3)25-10-13/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,24,30)(H2,26,27,28,31).
What are the key properties of 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide?
3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 87159355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).