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

C20H23N5O — CID 91827383

IUPAC3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPAGDGWOISBNVEC-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.77
Rot. Bonds3

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

3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 91827383) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID91827383
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPAGDGWOISBNVEC-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-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 91827383) is 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1.
What is the InChIKey of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is PAGDGWOISBNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
3-methyl-5-(5-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-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 91827383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).