3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

C14H18N4O — CID 91820724

IUPAC3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyWPUMQOWFWIAZCU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds2

About 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 91820724) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID91820724
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyWPUMQOWFWIAZCU-UHFFFAOYSA-N
XLogP1.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 91820724) is 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is WPUMQOWFWIAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 91820724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).