N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

C22H23N5O2 — CID 137268114

IUPACN-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccc(-c3nc(C)c(C)c(=O)[nH]3)cn1)C2
InChIInChI=1S/C22H23N5O2/c1-13-14(2)24-21(26-22(13)29)16-7-8-20(23-11-16)27-10-9-18-17(12-27)5-4-6-19(18)25-15(3)28/h4-8,11H,9-10,12H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyOAMKWMKEPJVHQY-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.97
Rot. Bonds3

About N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (PubChem CID 137268114) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
PubChem CID137268114
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccc(-c3nc(C)c(C)c(=O)[nH]3)cn1)C2
InChIInChI=1S/C22H23N5O2/c1-13-14(2)24-21(26-22(13)29)16-7-8-20(23-11-16)27-10-9-18-17(12-27)5-4-6-19(18)25-15(3)28/h4-8,11H,9-10,12H2,1-3H3,(H,25,28)(H,24,26,29)
InChIKeyOAMKWMKEPJVHQY-UHFFFAOYSA-N
XLogP2.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The IUPAC name of N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (CID 137268114) is N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.
What is the SMILES notation for N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The canonical SMILES for N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCN(c1ccc(-c3nc(C)c(C)c(=O)[nH]3)cn1)C2.
What is the InChIKey of N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The InChIKey is OAMKWMKEPJVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-14(2)24-21(26-22(13)29)16-7-8-20(23-11-16)27-10-9-18-17(12-27)5-4-6-19(18)25-15(3)28/h4-8,11H,9-10,12H2,1-3H3,(H,25,28)(H,24,26,29).
What are the key properties of N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is sourced from PubChem (CID 137268114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).