N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C23H22N6O3 — CID 92606976

IUPACN-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)no2)c1
InChIInChI=1S/C23H22N6O3/c1-29(2)21-11-17(26-22(27-21)16-7-5-9-24-13-16)14-25-23(30)19-12-20(32-28-19)15-6-4-8-18(10-15)31-3/h4-13H,14H2,1-3H3,(H,25,30)
InChIKeyXJAKEJZEQSWWBK-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.20
Rot. Bonds7

About N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 92606976) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID92606976
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)no2)c1
InChIInChI=1S/C23H22N6O3/c1-29(2)21-11-17(26-22(27-21)16-7-5-9-24-13-16)14-25-23(30)19-12-20(32-28-19)15-6-4-8-18(10-15)31-3/h4-13H,14H2,1-3H3,(H,25,30)
InChIKeyXJAKEJZEQSWWBK-UHFFFAOYSA-N
XLogP3.20
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 92606976) is N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)no2)c1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XJAKEJZEQSWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-29(2)21-11-17(26-22(27-21)16-7-5-9-24-13-16)14-25-23(30)19-12-20(32-28-19)15-6-4-8-18(10-15)31-3/h4-13H,14H2,1-3H3,(H,25,30).
What are the key properties of N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92606976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).