N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide

C20H22N6O3 — CID 86267824

IUPACN-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2C)ccn1
InChIInChI=1S/C20H22N6O3/c1-11(2)23-20-22-10-15(19(28)26-20)16-5-6-17(12(3)24-16)29-14-7-8-21-18(9-14)25-13(4)27/h5-11H,1-4H3,(H,21,25,27)(H2,22,23,26,28)
InChIKeyICLXSCMSXYRMQH-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.11
Rot. Bonds6

About N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide

N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide (PubChem CID 86267824) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide
PubChem CID86267824
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2C)ccn1
InChIInChI=1S/C20H22N6O3/c1-11(2)23-20-22-10-15(19(28)26-20)16-5-6-17(12(3)24-16)29-14-7-8-21-18(9-14)25-13(4)27/h5-11H,1-4H3,(H,21,25,27)(H2,22,23,26,28)
InChIKeyICLXSCMSXYRMQH-UHFFFAOYSA-N
XLogP3.11
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide (CID 86267824) is N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2C)ccn1.
What is the InChIKey of N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The InChIKey is ICLXSCMSXYRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-11(2)23-20-22-10-15(19(28)26-20)16-5-6-17(12(3)24-16)29-14-7-8-21-18(9-14)25-13(4)27/h5-11H,1-4H3,(H,21,25,27)(H2,22,23,26,28).
What are the key properties of N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 86267824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).