benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate

C23H21N5O2 — CID 135344668

IUPACbenzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCCc1ccncc1-c1cc2cc(NC(=O)OCc3ccccc3)ncc2c(N)n1
InChIInChI=1S/C23H21N5O2/c1-2-16-8-9-25-12-18(16)20-10-17-11-21(26-13-19(17)22(24)27-20)28-23(29)30-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,24,27)(H,26,28,29)
InChIKeyXKYCYCZTIQXLRF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.59
Rot. Bonds5

About benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate

benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate (PubChem CID 135344668) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
PubChem CID135344668
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Namebenzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCCc1ccncc1-c1cc2cc(NC(=O)OCc3ccccc3)ncc2c(N)n1
InChIInChI=1S/C23H21N5O2/c1-2-16-8-9-25-12-18(16)20-10-17-11-21(26-13-19(17)22(24)27-20)28-23(29)30-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,24,27)(H,26,28,29)
InChIKeyXKYCYCZTIQXLRF-UHFFFAOYSA-N
XLogP4.59
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The IUPAC name of benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate (CID 135344668) is benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The canonical SMILES for benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate is CCc1ccncc1-c1cc2cc(NC(=O)OCc3ccccc3)ncc2c(N)n1.
What is the InChIKey of benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The InChIKey is XKYCYCZTIQXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-2-16-8-9-25-12-18(16)20-10-17-11-21(26-13-19(17)22(24)27-20)28-23(29)30-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H2,24,27)(H,26,28,29).
What are the key properties of benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate has a molecular weight of 399.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 135344668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).