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

About N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-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-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 10346231) has the molecular formula C20H24ClN7O5S and a molecular weight of 509.98 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound Name	N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID	10346231
Molecular Formula	C20H24ClN7O5S
Molecular Weight	509.98 g/mol
Exact Mass	509.12
IUPAC Name	N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILES	CON(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1nc2c(s1)CN(C)CC2
InChI	InChI=1S/C20H24ClN7O5S/c1-27-7-6-12-14(10-27)34-19(25-12)18(31)24-13(20(32)28(2)33-3)9-23-16(29)17(30)26-15-5-4-11(21)8-22-15/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,31)(H,22,26,30)
InChIKey	LWWPZPKFCZHSCJ-UHFFFAOYSA-N
XLogP	0.05
TPSA	145.86 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.98
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-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-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 10346231) is N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-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-[3-[methoxy(methyl)amino]-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-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CON(C)C(=O)C(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1nc2c(s1)CN(C)CC2.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?

The InChIKey is LWWPZPKFCZHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O5S/c1-27-7-6-12-14(10-27)34-19(25-12)18(31)24-13(20(32)28(2)33-3)9-23-16(29)17(30)26-15-5-4-11(21)8-22-15/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,23,29)(H,24,31)(H,22,26,30).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-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-[3-[methoxy(methyl)amino]-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 509.98 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[3-[methoxy(methyl)amino]-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 10346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).