N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide

C22H22N4O2 — CID 135977009

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)[C@H]1CCc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-14-17(22(28)25-21(24-14)18-9-5-6-12-23-18)13-20(27)26(2)19-11-10-15-7-3-4-8-16(15)19/h3-9,12,19H,10-11,13H2,1-2H3,(H,24,25,28)/t19-/m0/s1
InChIKeyFYZHAHCSXSIGOP-IBGZPJMESA-N
MW374.44 g/mol
LogP2.83
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 135977009) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID135977009
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)[C@H]1CCc2ccccc21
InChIInChI=1S/C22H22N4O2/c1-14-17(22(28)25-21(24-14)18-9-5-6-12-23-18)13-20(27)26(2)19-11-10-15-7-3-4-8-16(15)19/h3-9,12,19H,10-11,13H2,1-2H3,(H,24,25,28)/t19-/m0/s1
InChIKeyFYZHAHCSXSIGOP-IBGZPJMESA-N
XLogP2.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide (CID 135977009) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N(C)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is FYZHAHCSXSIGOP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-17(22(28)25-21(24-14)18-9-5-6-12-23-18)13-20(27)26(2)19-11-10-15-7-3-4-8-16(15)19/h3-9,12,19H,10-11,13H2,1-2H3,(H,24,25,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135977009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).