5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

C20H18N4O2 — CID 137429773

IUPAC5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc2c(c1)CCC2C(=O)Nc1ccnc(-c2ccccn2)n1
InChIInChI=1S/C20H18N4O2/c1-26-14-6-8-15-13(12-14)5-7-16(15)20(25)24-18-9-11-22-19(23-18)17-4-2-3-10-21-17/h2-4,6,8-12,16H,5,7H2,1H3,(H,22,23,24,25)
InChIKeyDCWYYONAXZLUFH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.22
Rot. Bonds4

About 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 137429773) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID137429773
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc2c(c1)CCC2C(=O)Nc1ccnc(-c2ccccn2)n1
InChIInChI=1S/C20H18N4O2/c1-26-14-6-8-15-13(12-14)5-7-16(15)20(25)24-18-9-11-22-19(23-18)17-4-2-3-10-21-17/h2-4,6,8-12,16H,5,7H2,1H3,(H,22,23,24,25)
InChIKeyDCWYYONAXZLUFH-UHFFFAOYSA-N
XLogP3.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (CID 137429773) is 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc2c(c1)CCC2C(=O)Nc1ccnc(-c2ccccn2)n1.
What is the InChIKey of 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is DCWYYONAXZLUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-14-6-8-15-13(12-14)5-7-16(15)20(25)24-18-9-11-22-19(23-18)17-4-2-3-10-21-17/h2-4,6,8-12,16H,5,7H2,1H3,(H,22,23,24,25).
What are the key properties of 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-pyridin-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 137429773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).