N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

C20H24ClN7O4S — CID 10005918

IUPACN'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)sc2C1
InChIInChI=1S/C20H24ClN7O4S/c1-27(2)20(32)13(9-23-16(29)17(30)26-15-5-4-11(21)8-22-15)24-18(31)19-25-12-6-7-28(3)10-14(12)33-19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,31)(H,22,26,30)/t13-/m1/s1
InChIKeyKHRGYMWJMAPXJT-CYBMUJFWSA-N
MW493.98 g/mol
LogP0.12
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 10005918) has the molecular formula C20H24ClN7O4S and a molecular weight of 493.98 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID10005918
Molecular FormulaC20H24ClN7O4S
Molecular Weight493.98 g/mol
Exact Mass493.13
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)N[C@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)sc2C1
InChIInChI=1S/C20H24ClN7O4S/c1-27(2)20(32)13(9-23-16(29)17(30)26-15-5-4-11(21)8-22-15)24-18(31)19-25-12-6-7-28(3)10-14(12)33-19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,31)(H,22,26,30)/t13-/m1/s1
InChIKeyKHRGYMWJMAPXJT-CYBMUJFWSA-N
XLogP0.12
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 10005918) is N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)N[C@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N(C)C)sc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The InChIKey is KHRGYMWJMAPXJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClN7O4S/c1-27(2)20(32)13(9-23-16(29)17(30)26-15-5-4-11(21)8-22-15)24-18(31)19-25-12-6-7-28(3)10-14(12)33-19/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,31)(H,22,26,30)/t13-/m1/s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 493.98 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[(2R)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 10005918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).