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

C19H21N5O — CID 122180564

IUPAC3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccccn3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C19H21N5O/c1-12-10-14-15(16-4-2-3-7-21-16)11-22-18(17(14)24-19(12)25)23-13-5-8-20-9-6-13/h2-4,7,10-11,13,20H,5-6,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyFLDSXFZFESYKKQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.46
Rot. Bonds3

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

3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one (PubChem CID 122180564) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one
PubChem CID122180564
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccccn3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C19H21N5O/c1-12-10-14-15(16-4-2-3-7-21-16)11-22-18(17(14)24-19(12)25)23-13-5-8-20-9-6-13/h2-4,7,10-11,13,20H,5-6,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyFLDSXFZFESYKKQ-UHFFFAOYSA-N
XLogP2.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one (CID 122180564) is 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3ccccn3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one?
The InChIKey is FLDSXFZFESYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-10-14-15(16-4-2-3-7-21-16)11-22-18(17(14)24-19(12)25)23-13-5-8-20-9-6-13/h2-4,7,10-11,13,20H,5-6,8-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one?
3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(piperidin-4-ylamino)-5-pyridin-2-yl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).