3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

C20H23N5O — CID 122179608

IUPAC3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1ncccc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C20H23N5O/c1-12-10-16-17(15-4-3-7-22-13(15)2)11-23-19(18(16)25-20(12)26)24-14-5-8-21-9-6-14/h3-4,7,10-11,14,21H,5-6,8-9H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyALKLLOKCNQICJG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.77
Rot. Bonds3

About 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 122179608) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID122179608
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1ncccc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C20H23N5O/c1-12-10-16-17(15-4-3-7-22-13(15)2)11-23-19(18(16)25-20(12)26)24-14-5-8-21-9-6-14/h3-4,7,10-11,14,21H,5-6,8-9H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyALKLLOKCNQICJG-UHFFFAOYSA-N
XLogP2.77
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 122179608) is 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1ncccc1-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12.
What is the InChIKey of 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is ALKLLOKCNQICJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-10-16-17(15-4-3-7-22-13(15)2)11-23-19(18(16)25-20(12)26)24-14-5-8-21-9-6-14/h3-4,7,10-11,14,21H,5-6,8-9H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122179608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).