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

C19H22N6O — CID 122179615

IUPAC5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(N)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C19H22N6O/c1-11-6-15-16(12-7-13(20)9-22-8-12)10-23-18(17(15)25-19(11)26)24-14-2-4-21-5-3-14/h6-10,14,21H,2-5,20H2,1H3,(H,23,24)(H,25,26)
InChIKeyYYIZMKLHVKMWIJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.04
Rot. Bonds3

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

5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 122179615) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID122179615
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(N)c3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C19H22N6O/c1-11-6-15-16(12-7-13(20)9-22-8-12)10-23-18(17(15)25-19(11)26)24-14-2-4-21-5-3-14/h6-10,14,21H,2-5,20H2,1H3,(H,23,24)(H,25,26)
InChIKeyYYIZMKLHVKMWIJ-UHFFFAOYSA-N
XLogP2.04
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 122179615) is 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3cncc(N)c3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is YYIZMKLHVKMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11-6-15-16(12-7-13(20)9-22-8-12)10-23-18(17(15)25-19(11)26)24-14-2-4-21-5-3-14/h6-10,14,21H,2-5,20H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 350.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122179615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).