N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C20H17N5OS — CID 42032794

IUPACN-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H17N5OS/c26-20(24-19-23-16-5-1-2-6-17(16)27-19)25-10-7-13(8-11-25)15-12-22-18-14(15)4-3-9-21-18/h1-7,9,12H,8,10-11H2,(H,21,22)(H,23,24,26)
InChIKeyICNOCVHZGYRLJN-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.49
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 42032794) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID42032794
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C20H17N5OS/c26-20(24-19-23-16-5-1-2-6-17(16)27-19)25-10-7-13(8-11-25)15-12-22-18-14(15)4-3-9-21-18/h1-7,9,12H,8,10-11H2,(H,21,22)(H,23,24,26)
InChIKeyICNOCVHZGYRLJN-UHFFFAOYSA-N
XLogP4.49
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 42032794) is N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1nc2ccccc2s1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ICNOCVHZGYRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-20(24-19-23-16-5-1-2-6-17(16)27-19)25-10-7-13(8-11-25)15-12-22-18-14(15)4-3-9-21-18/h1-7,9,12H,8,10-11H2,(H,21,22)(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 42032794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).