[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride

C20H20ClN5O2 — CID 135186020

IUPAC[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1
InChIInChI=1S/C20H19N5O2.ClH/c21-11-16-10-19(24-13-23-16)27-17-5-1-3-15(9-17)20(26)25-8-6-14-4-2-7-22-18(14)12-25;/h1-5,7,9-10,13H,6,8,11-12,21H2;1H
InChIKeyYZOJDKNJDCKQDY-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.74
Rot. Bonds4

About [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride

[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride (PubChem CID 135186020) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride
PubChem CID135186020
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1
InChIInChI=1S/C20H19N5O2.ClH/c21-11-16-10-19(24-13-23-16)27-17-5-1-3-15(9-17)20(26)25-8-6-14-4-2-7-22-18(14)12-25;/h1-5,7,9-10,13H,6,8,11-12,21H2;1H
InChIKeyYZOJDKNJDCKQDY-UHFFFAOYSA-N
XLogP2.74
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride?
The IUPAC name of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride (CID 135186020) is [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride.
What is the SMILES notation for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride?
The canonical SMILES for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride is Cl.NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1.
What is the InChIKey of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride?
The InChIKey is YZOJDKNJDCKQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.ClH/c21-11-16-10-19(24-13-23-16)27-17-5-1-3-15(9-17)20(26)25-8-6-14-4-2-7-22-18(14)12-25;/h1-5,7,9-10,13H,6,8,11-12,21H2;1H.
What are the key properties of [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride?
[3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride has a molecular weight of 397.87 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(aminomethyl)pyrimidin-4-yl]oxyphenyl]-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)methanone;hydrochloride is sourced from PubChem (CID 135186020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).