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

C19H20N6O3 — CID 86267613

IUPACN-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2)ccn1
InChIInChI=1S/C19H20N6O3/c1-11(2)24-19-23-10-14(17(26)25-19)15-5-4-13(9-22-15)28-12-6-7-21-16(8-12)18(27)20-3/h4-11H,1-3H3,(H,20,27)(H2,23,24,25,26)
InChIKeyAJWFZWUKPLWQBJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.20
Rot. Bonds6

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

N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide (PubChem CID 86267613) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide
PubChem CID86267613
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2)ccn1
InChIInChI=1S/C19H20N6O3/c1-11(2)24-19-23-10-14(17(26)25-19)15-5-4-13(9-22-15)28-12-6-7-21-16(8-12)18(27)20-3/h4-11H,1-3H3,(H,20,27)(H2,23,24,25,26)
InChIKeyAJWFZWUKPLWQBJ-UHFFFAOYSA-N
XLogP2.20
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide (CID 86267613) is N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3cnc(NC(C)C)[nH]c3=O)nc2)ccn1.
What is the InChIKey of N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide?
The InChIKey is AJWFZWUKPLWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-11(2)24-19-23-10-14(17(26)25-19)15-5-4-13(9-22-15)28-12-6-7-21-16(8-12)18(27)20-3/h4-11H,1-3H3,(H,20,27)(H2,23,24,25,26).
What are the key properties of N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 86267613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).