2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine

C22H23N5O2 — CID 69170002

IUPAC2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1
InChIInChI=1S/C22H23N5O2/c1-3-14(23)12-29-16-6-13(9-25-10-16)20-8-18-17-5-4-15(28-2)7-21(17)26-11-19(18)22(24)27-20/h4-11,14H,3,12,23H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyWUFVBJNSMGEUPN-AWEZNQCLSA-N
MW389.46 g/mol
LogP3.55
Rot. Bonds6

About 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine

2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine (PubChem CID 69170002) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine
PubChem CID69170002
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine
SMILESCC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1
InChIInChI=1S/C22H23N5O2/c1-3-14(23)12-29-16-6-13(9-25-10-16)20-8-18-17-5-4-15(28-2)7-21(17)26-11-19(18)22(24)27-20/h4-11,14H,3,12,23H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyWUFVBJNSMGEUPN-AWEZNQCLSA-N
XLogP3.55
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine (CID 69170002) is 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine is CC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1.
What is the InChIKey of 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is WUFVBJNSMGEUPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-14(23)12-29-16-6-13(9-25-10-16)20-8-18-17-5-4-15(28-2)7-21(17)26-11-19(18)22(24)27-20/h4-11,14H,3,12,23H2,1-2H3,(H2,24,27)/t14-/m0/s1.
What are the key properties of 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine?
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-8-methoxybenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 69170002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).