6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C25H26N6O — CID 58093620

IUPAC6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESNCc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)c1
InChIInChI=1S/C25H26N6O/c26-13-16-11-20(15-28-14-16)22-12-19-7-10-29-25(32)23(19)24(31-22)30-21-3-1-17(2-4-21)18-5-8-27-9-6-18/h1-4,7,10-12,14-15,18,27H,5-6,8-9,13,26H2,(H,29,32)(H,30,31)
InChIKeyDOZMOGOYZRKGPT-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.65
Rot. Bonds5

About 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58093620) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58093620
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESNCc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)c1
InChIInChI=1S/C25H26N6O/c26-13-16-11-20(15-28-14-16)22-12-19-7-10-29-25(32)23(19)24(31-22)30-21-3-1-17(2-4-21)18-5-8-27-9-6-18/h1-4,7,10-12,14-15,18,27H,5-6,8-9,13,26H2,(H,29,32)(H,30,31)
InChIKeyDOZMOGOYZRKGPT-UHFFFAOYSA-N
XLogP3.65
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58093620) is 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is NCc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)c1.
What is the InChIKey of 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is DOZMOGOYZRKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c26-13-16-11-20(15-28-14-16)22-12-19-7-10-29-25(32)23(19)24(31-22)30-21-3-1-17(2-4-21)18-5-8-27-9-6-18/h1-4,7,10-12,14-15,18,27H,5-6,8-9,13,26H2,(H,29,32)(H,30,31).
What are the key properties of 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 426.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).