3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one

C18H26N4O2 — CID 122181567

IUPAC3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC(C)C)c2[nH]c1=O
InChIInChI=1S/C18H26N4O2/c1-11(2)10-24-15-9-19-6-5-14(15)21-17-16-13(4-7-20-17)8-12(3)18(23)22-16/h4,7-8,11,14-15,19H,5-6,9-10H2,1-3H3,(H,20,21)(H,22,23)/t14-,15-/m1/s1
InChIKeyJKTNWFFAZWETLV-HUUCEWRRSA-N
MW330.43 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one

3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one (PubChem CID 122181567) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
PubChem CID122181567
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC(C)C)c2[nH]c1=O
InChIInChI=1S/C18H26N4O2/c1-11(2)10-24-15-9-19-6-5-14(15)21-17-16-13(4-7-20-17)8-12(3)18(23)22-16/h4,7-8,11,14-15,19H,5-6,9-10H2,1-3H3,(H,20,21)(H,22,23)/t14-,15-/m1/s1
InChIKeyJKTNWFFAZWETLV-HUUCEWRRSA-N
XLogP2.05
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one (CID 122181567) is 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one is Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC(C)C)c2[nH]c1=O.
What is the InChIKey of 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The InChIKey is JKTNWFFAZWETLV-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11(2)10-24-15-9-19-6-5-14(15)21-17-16-13(4-7-20-17)8-12(3)18(23)22-16/h4,7-8,11,14-15,19H,5-6,9-10H2,1-3H3,(H,20,21)(H,22,23)/t14-,15-/m1/s1.
What are the key properties of 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[[(3R,4R)-3-(2-methylpropoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122181567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).