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

C26H29N5O5 — CID 69233388

IUPAC[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(OC(CNC(=O)O)C(C)(C)C)c4)cc3c2cc1OC
InChIInChI=1S/C26H29N5O5/c1-26(2,3)23(13-30-25(32)33)36-15-6-14(10-28-11-15)19-7-16-17-8-21(34-4)22(35-5)9-20(17)29-12-18(16)24(27)31-19/h6-12,23,30H,13H2,1-5H3,(H2,27,31)(H,32,33)
InChIKeyKYMSMXZTMSLBFW-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.51
Rot. Bonds7

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

[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid (PubChem CID 69233388) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid.

Molecular Properties

Compound Name[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid
PubChem CID69233388
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(OC(CNC(=O)O)C(C)(C)C)c4)cc3c2cc1OC
InChIInChI=1S/C26H29N5O5/c1-26(2,3)23(13-30-25(32)33)36-15-6-14(10-28-11-15)19-7-16-17-8-21(34-4)22(35-5)9-20(17)29-12-18(16)24(27)31-19/h6-12,23,30H,13H2,1-5H3,(H2,27,31)(H,32,33)
InChIKeyKYMSMXZTMSLBFW-UHFFFAOYSA-N
XLogP4.51
TPSA141.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]-ethylcarbamic acid
CID 69233569
2-[5-(2-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69169898
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-(3-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171263
[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
CID 69171636
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-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2,2,2-trifluoroethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171280
2-[5-[(2S)-2-aminobutoxy]-3-pyridinyl]-9-methoxy-8-(2-methoxyethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171285
2-[5-[(4-amino-2-pyridinyl)oxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69170042
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-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
CID 87721313
2-[5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 46193131

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid?
The IUPAC name of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid (CID 69233388) is [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid.
What is the SMILES notation for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid?
The canonical SMILES for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid is COc1cc2ncc3c(N)nc(-c4cncc(OC(CNC(=O)O)C(C)(C)C)c4)cc3c2cc1OC.
What is the InChIKey of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid?
The InChIKey is KYMSMXZTMSLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-26(2,3)23(13-30-25(32)33)36-15-6-14(10-28-11-15)19-7-16-17-8-21(34-4)22(35-5)9-20(17)29-12-18(16)24(27)31-19/h6-12,23,30H,13H2,1-5H3,(H2,27,31)(H,32,33).
What are the key properties of [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid?
[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid has a molecular weight of 491.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3,3-dimethylbutyl]carbamic acid is sourced from PubChem (CID 69233388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).