methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate

C22H20N4O3 — CID 169268133

IUPACmethyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1
InChIInChI=1S/C22H20N4O3/c1-29-22(28)20-7-3-6-19(26-20)21(27)25-16-9-8-14-4-2-5-17(18(14)10-16)15-11-23-13-24-12-15/h2-7,11-13,16H,8-10H2,1H3,(H,25,27)
InChIKeyMDSYVDRTYMALQS-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.61
Rot. Bonds4

About methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate (PubChem CID 169268133) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate
PubChem CID169268133
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1
InChIInChI=1S/C22H20N4O3/c1-29-22(28)20-7-3-6-19(26-20)21(27)25-16-9-8-14-4-2-5-17(18(14)10-16)15-11-23-13-24-12-15/h2-7,11-13,16H,8-10H2,1H3,(H,25,27)
InChIKeyMDSYVDRTYMALQS-UHFFFAOYSA-N
XLogP2.61
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate (CID 169268133) is methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1.
What is the InChIKey of methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is MDSYVDRTYMALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-29-22(28)20-7-3-6-19(26-20)21(27)25-16-9-8-14-4-2-5-17(18(14)10-16)15-11-23-13-24-12-15/h2-7,11-13,16H,8-10H2,1H3,(H,25,27).
What are the key properties of methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 169268133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).