N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C22H21N5O2S — CID 142506356

IUPACN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCC(CN(C)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12)c1ccncc1
InChIInChI=1S/C22H21N5O2S/c1-3-14(15-7-10-23-11-8-15)12-27(2)22(29)16-13-30-19-18(16)25-20(26-21(19)28)17-6-4-5-9-24-17/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,28)
InChIKeyOFAADRTXZWLBNX-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide

N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 142506356) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID142506356
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCC(CN(C)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12)c1ccncc1
InChIInChI=1S/C22H21N5O2S/c1-3-14(15-7-10-23-11-8-15)12-27(2)22(29)16-13-30-19-18(16)25-20(26-21(19)28)17-6-4-5-9-24-17/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,28)
InChIKeyOFAADRTXZWLBNX-UHFFFAOYSA-N
XLogP3.71
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 142506356) is N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide is CCC(CN(C)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12)c1ccncc1.
What is the InChIKey of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is OFAADRTXZWLBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-3-14(15-7-10-23-11-8-15)12-27(2)22(29)16-13-30-19-18(16)25-20(26-21(19)28)17-6-4-5-9-24-17/h4-11,13-14H,3,12H2,1-2H3,(H,25,26,28).
What are the key properties of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylbutyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 142506356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).