(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C24H26N4O4 — CID 136891103

IUPAC(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2
InChIInChI=1S/C24H26N4O4/c1-14(2)21(18-12-20(29)27-23(26-18)17-8-4-5-10-25-17)28-24(30)16-11-15-7-6-9-19(31-3)22(15)32-13-16/h4-10,12,14,16,21H,11,13H2,1-3H3,(H,28,30)(H,26,27,29)/t16-,21-/m1/s1
InChIKeyOLYYDILLHPHVSE-IIBYNOLFSA-N
MW434.50 g/mol
LogP2.91
Rot. Bonds6

About (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 136891103) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID136891103
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2
InChIInChI=1S/C24H26N4O4/c1-14(2)21(18-12-20(29)27-23(26-18)17-8-4-5-10-25-17)28-24(30)16-11-15-7-6-9-19(31-3)22(15)32-13-16/h4-10,12,14,16,21H,11,13H2,1-3H3,(H,28,30)(H,26,27,29)/t16-,21-/m1/s1
InChIKeyOLYYDILLHPHVSE-IIBYNOLFSA-N
XLogP2.91
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 136891103) is (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2.
What is the InChIKey of (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OLYYDILLHPHVSE-IIBYNOLFSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14(2)21(18-12-20(29)27-23(26-18)17-8-4-5-10-25-17)28-24(30)16-11-15-7-6-9-19(31-3)22(15)32-13-16/h4-10,12,14,16,21H,11,13H2,1-3H3,(H,28,30)(H,26,27,29)/t16-,21-/m1/s1.
What are the key properties of (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 136891103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).