N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine

C20H27N5 — CID 137229971

IUPACN-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
SMILESCCCCCNC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C20H27N5/c1-2-3-4-9-21-15-6-5-12-25(14-15)18-8-11-22-17-13-24-20-16(19(17)18)7-10-23-20/h7-8,10-11,13,15,21-22H,2-6,9,12,14H2,1H3
InChIKeyJOXANDAPAIYUJR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.86
Rot. Bonds6

About N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine

N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine (PubChem CID 137229971) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
PubChem CID137229971
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
SMILESCCCCCNC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C20H27N5/c1-2-3-4-9-21-15-6-5-12-25(14-15)18-8-11-22-17-13-24-20-16(19(17)18)7-10-23-20/h7-8,10-11,13,15,21-22H,2-6,9,12,14H2,1H3
InChIKeyJOXANDAPAIYUJR-UHFFFAOYSA-N
XLogP3.86
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine?
The IUPAC name of N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine (CID 137229971) is N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine.
What is the SMILES notation for N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine?
The canonical SMILES for N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine is CCCCCNC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.
What is the InChIKey of N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine?
The InChIKey is JOXANDAPAIYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-3-4-9-21-15-6-5-12-25(14-15)18-8-11-22-17-13-24-20-16(19(17)18)7-10-23-20/h7-8,10-11,13,15,21-22H,2-6,9,12,14H2,1H3.
What are the key properties of N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine?
N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine has a molecular weight of 337.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine is sourced from PubChem (CID 137229971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).