[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid

C20H27N5O5 — CID 69375123

IUPAC[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCO[C@H](C(NC(=O)O)C(C)(C)C)C3)c2n1
InChIInChI=1S/C20H27N5O5/c1-20(2,3)17(24-19(27)28)14-11-25(9-10-30-14)18(26)22-13-7-8-21-12-5-6-15(29-4)23-16(12)13/h5-8,14,17,24H,9-11H2,1-4H3,(H,27,28)(H,21,22,26)/t14-,17?/m0/s1
InChIKeyWVWTZWRYOYAPIB-MBIQTGHCSA-N
MW417.47 g/mol
LogP2.55
Rot. Bonds4

About [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid

[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 69375123) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid
PubChem CID69375123
Molecular FormulaC20H27N5O5
Molecular Weight417.47 g/mol
Exact Mass417.20
IUPAC Name[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCO[C@H](C(NC(=O)O)C(C)(C)C)C3)c2n1
InChIInChI=1S/C20H27N5O5/c1-20(2,3)17(24-19(27)28)14-11-25(9-10-30-14)18(26)22-13-7-8-21-12-5-6-15(29-4)23-16(12)13/h5-8,14,17,24H,9-11H2,1-4H3,(H,27,28)(H,21,22,26)/t14-,17?/m0/s1
InChIKeyWVWTZWRYOYAPIB-MBIQTGHCSA-N
XLogP2.55
TPSA125.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 69375123) is [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid is COc1ccc2nccc(NC(=O)N3CCO[C@H](C(NC(=O)O)C(C)(C)C)C3)c2n1.
What is the InChIKey of [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is WVWTZWRYOYAPIB-MBIQTGHCSA-N. The full InChI is InChI=1S/C20H27N5O5/c1-20(2,3)17(24-19(27)28)14-11-25(9-10-30-14)18(26)22-13-7-8-21-12-5-6-15(29-4)23-16(12)13/h5-8,14,17,24H,9-11H2,1-4H3,(H,27,28)(H,21,22,26)/t14-,17?/m0/s1.
What are the key properties of [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid?
[1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 417.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 69375123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).