[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid

C25H20N6O5 — CID 69171636

IUPAC[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(Oc5ccc(NC(=O)O)cn5)c4)cc3c2cc1OC
InChIInChI=1S/C25H20N6O5/c1-34-21-7-17-16-6-19(31-24(26)18(16)12-28-20(17)8-22(21)35-2)13-5-15(11-27-9-13)36-23-4-3-14(10-29-23)30-25(32)33/h3-12,30H,1-2H3,(H2,26,31)(H,32,33)
InChIKeyUBXTVXDTSZXJBQ-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.72
Rot. Bonds6

About [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid

[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid (PubChem CID 69171636) has the molecular formula C25H20N6O5 and a molecular weight of 484.47 g/mol. Its IUPAC name is [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
PubChem CID69171636
Molecular FormulaC25H20N6O5
Molecular Weight484.47 g/mol
Exact Mass484.15
IUPAC Name[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(Oc5ccc(NC(=O)O)cn5)c4)cc3c2cc1OC
InChIInChI=1S/C25H20N6O5/c1-34-21-7-17-16-6-19(31-24(26)18(16)12-28-20(17)8-22(21)35-2)13-5-15(11-27-9-13)36-23-4-3-14(10-29-23)30-25(32)33/h3-12,30H,1-2H3,(H2,26,31)(H,32,33)
InChIKeyUBXTVXDTSZXJBQ-UHFFFAOYSA-N
XLogP4.72
TPSA154.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(4-amino-2-pyridinyl)oxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69170042
2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
CID 87721313
[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid
CID 69233388
2-[5-(3-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171263
2-[5-(2-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69169898
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2-methoxyethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171285
2-[1-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]propan-2-ylamino]ethanesulfonic acid
CID 177022254
[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid
CID 69233569
tert-butyl N-[(2S)-1-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamate
CID 91362706
2-[5-[(2R)-2-amino-3-[(4-chloro-2-pyridinyl)oxy]propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171077
2-[1-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-ylamino]ethanesulfonic acid
CID 177022255
2-[5-[(2S)-2-(diphenylphosphorylamino)-4-(1,3-thiazol-2-yl)butoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171523

Frequently Asked Questions

What is the IUPAC name of [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid (CID 69171636) is [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid is COc1cc2ncc3c(N)nc(-c4cncc(Oc5ccc(NC(=O)O)cn5)c4)cc3c2cc1OC.
What is the InChIKey of [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid?
The InChIKey is UBXTVXDTSZXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O5/c1-34-21-7-17-16-6-19(31-24(26)18(16)12-28-20(17)8-22(21)35-2)13-5-15(11-27-9-13)36-23-4-3-14(10-29-23)30-25(32)33/h3-12,30H,1-2H3,(H2,26,31)(H,32,33).
What are the key properties of [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid?
[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid has a molecular weight of 484.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 69171636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).