(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C20H19N5O2 — CID 135344984

IUPAC(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c(N)n1
InChIInChI=1S/C20H19N5O2/c1-10-2-3-22-6-12(10)16-4-11-5-17(23-7-13(11)19(21)24-16)25-20(26)18-14-8-27-9-15(14)18/h2-7,14-15,18H,8-9H2,1H3,(H2,21,24)(H,23,25,26)/t14-,15+,18?
InChIKeyHSTBTGSBFZTVOG-MVVMVCHASA-N
MW361.41 g/mol
LogP2.41
Rot. Bonds3

About (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 135344984) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID135344984
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c(N)n1
InChIInChI=1S/C20H19N5O2/c1-10-2-3-22-6-12(10)16-4-11-5-17(23-7-13(11)19(21)24-16)25-20(26)18-14-8-27-9-15(14)18/h2-7,14-15,18H,8-9H2,1H3,(H2,21,24)(H,23,25,26)/t14-,15+,18?
InChIKeyHSTBTGSBFZTVOG-MVVMVCHASA-N
XLogP2.41
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 135344984) is (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c(N)n1.
What is the InChIKey of (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is HSTBTGSBFZTVOG-MVVMVCHASA-N. The full InChI is InChI=1S/C20H19N5O2/c1-10-2-3-22-6-12(10)16-4-11-5-17(23-7-13(11)19(21)24-16)25-20(26)18-14-8-27-9-15(14)18/h2-7,14-15,18H,8-9H2,1H3,(H2,21,24)(H,23,25,26)/t14-,15+,18?.
What are the key properties of (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 135344984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).