N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

C15H15N3OS — CID 70729548

IUPACN,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3c2ccn3C)s1
InChIInChI=1S/C15H15N3OS/c1-17(2)15(19)13-5-4-12(20-13)10-6-8-16-14-11(10)7-9-18(14)3/h4-9H,1-3H3
InChIKeyXGDAFCBIBXKPRB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.00
Rot. Bonds2

About N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (PubChem CID 70729548) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
PubChem CID70729548
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3c2ccn3C)s1
InChIInChI=1S/C15H15N3OS/c1-17(2)15(19)13-5-4-12(20-13)10-6-8-16-14-11(10)7-9-18(14)3/h4-9H,1-3H3
InChIKeyXGDAFCBIBXKPRB-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (CID 70729548) is N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is CN(C)C(=O)c1ccc(-c2ccnc3c2ccn3C)s1.
What is the InChIKey of N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is XGDAFCBIBXKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-17(2)15(19)13-5-4-12(20-13)10-6-8-16-14-11(10)7-9-18(14)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70729548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).