N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide

C23H25N7O3S — CID 44553526

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cnc2s1
InChIInChI=1S/C23H25N7O3S/c1-2-6-26-22(33)29-23-28-18-11-16(14-27-21(18)34-23)15-10-17(13-24-12-15)20(32)25-7-4-9-30-8-3-5-19(30)31/h2,10-14H,1,3-9H2,(H,25,32)(H2,26,28,29,33)
InChIKeyCWVSPRYQUSLVCB-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.80
Rot. Bonds9

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 44553526) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID44553526
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
SMILESC=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cnc2s1
InChIInChI=1S/C23H25N7O3S/c1-2-6-26-22(33)29-23-28-18-11-16(14-27-21(18)34-23)15-10-17(13-24-12-15)20(32)25-7-4-9-30-8-3-5-19(30)31/h2,10-14H,1,3-9H2,(H,25,32)(H2,26,28,29,33)
InChIKeyCWVSPRYQUSLVCB-UHFFFAOYSA-N
XLogP2.80
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide
CID 59352848
5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 117091609
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117093864
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide (CID 44553526) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide is C=CCNC(=O)Nc1nc2cc(-c3cncc(C(=O)NCCCN4CCCC4=O)c3)cnc2s1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is CWVSPRYQUSLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-2-6-26-22(33)29-23-28-18-11-16(14-27-21(18)34-23)15-10-17(13-24-12-15)20(32)25-7-4-9-30-8-3-5-19(30)31/h2,10-14H,1,3-9H2,(H,25,32)(H2,26,28,29,33).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[2-(prop-2-enylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).