N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H21N5OS — CID 124944215

IUPACN,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nccc(N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)n1
InChIInChI=1S/C19H21N5OS/c1-12-20-9-6-15(22-12)24-10-7-13(11-24)16-14-5-4-8-21-18(14)26-17(16)19(25)23(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1
InChIKeyBIEQTKNICDGPCU-CYBMUJFWSA-N
MW367.48 g/mol
LogP3.09
Rot. Bonds3

About N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124944215) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID124944215
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nccc(N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)n1
InChIInChI=1S/C19H21N5OS/c1-12-20-9-6-15(22-12)24-10-7-13(11-24)16-14-5-4-8-21-18(14)26-17(16)19(25)23(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1
InChIKeyBIEQTKNICDGPCU-CYBMUJFWSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124944215) is N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1nccc(N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)n1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BIEQTKNICDGPCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-20-9-6-15(22-12)24-10-7-13(11-24)16-14-5-4-8-21-18(14)26-17(16)19(25)23(2)3/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124944215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).