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

C25H32ClN7O4S — CID 68978812

IUPACN'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
SMILESCc1nc(N(C(=O)C(N)=O)[C@H]2CC[C@H](C(=O)N(C)C)C[C@H]2NC(=O)c2nc3c(s2)CN(C)CC3)ccc1Cl
InChIInChI=1S/C25H32ClN7O4S/c1-13-15(26)6-8-20(28-13)33(25(37)21(27)34)18-7-5-14(24(36)31(2)3)11-17(18)29-22(35)23-30-16-9-10-32(4)12-19(16)38-23/h6,8,14,17-18H,5,7,9-12H2,1-4H3,(H2,27,34)(H,29,35)/t14-,17+,18-/m0/s1
InChIKeyPREWTCQWVLWOAW-QGTPRVQTSA-N
MW562.10 g/mol
LogP1.36
Rot. Bonds5

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

N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (PubChem CID 68978812) has the molecular formula C25H32ClN7O4S and a molecular weight of 562.10 g/mol. Its IUPAC name is N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
PubChem CID68978812
Molecular FormulaC25H32ClN7O4S
Molecular Weight562.10 g/mol
Exact Mass561.19
IUPAC NameN'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
SMILESCc1nc(N(C(=O)C(N)=O)[C@H]2CC[C@H](C(=O)N(C)C)C[C@H]2NC(=O)c2nc3c(s2)CN(C)CC3)ccc1Cl
InChIInChI=1S/C25H32ClN7O4S/c1-13-15(26)6-8-20(28-13)33(25(37)21(27)34)18-7-5-14(24(36)31(2)3)11-17(18)29-22(35)23-30-16-9-10-32(4)12-19(16)38-23/h6,8,14,17-18H,5,7,9-12H2,1-4H3,(H2,27,34)(H,29,35)/t14-,17+,18-/m0/s1
InChIKeyPREWTCQWVLWOAW-QGTPRVQTSA-N
XLogP1.36
TPSA141.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.10
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?
The IUPAC name of N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (CID 68978812) is N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.
What is the SMILES notation for N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?
The canonical SMILES for N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is Cc1nc(N(C(=O)C(N)=O)[C@H]2CC[C@H](C(=O)N(C)C)C[C@H]2NC(=O)c2nc3c(s2)CN(C)CC3)ccc1Cl.
What is the InChIKey of N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?
The InChIKey is PREWTCQWVLWOAW-QGTPRVQTSA-N. The full InChI is InChI=1S/C25H32ClN7O4S/c1-13-15(26)6-8-20(28-13)33(25(37)21(27)34)18-7-5-14(24(36)31(2)3)11-17(18)29-22(35)23-30-16-9-10-32(4)12-19(16)38-23/h6,8,14,17-18H,5,7,9-12H2,1-4H3,(H2,27,34)(H,29,35)/t14-,17+,18-/m0/s1.
What are the key properties of N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?
N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide has a molecular weight of 562.10 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-6-methyl-2-pyridinyl)-N'-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is sourced from PubChem (CID 68978812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).