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

C16H19N5O5 — CID 69444143

IUPAC[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCO[C@@H](CNC(=O)O)C3)c2n1
InChIInChI=1S/C16H19N5O5/c1-25-13-3-2-11-14(20-13)12(4-5-17-11)19-15(22)21-6-7-26-10(9-21)8-18-16(23)24/h2-5,10,18H,6-9H2,1H3,(H,23,24)(H,17,19,22)/t10-/m0/s1
InChIKeyMCYPDJRORNBZPN-JTQLQIEISA-N
MW361.36 g/mol
LogP1.14
Rot. Bonds4

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

[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid (PubChem CID 69444143) has the molecular formula C16H19N5O5 and a molecular weight of 361.36 g/mol. Its IUPAC name is [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid
PubChem CID69444143
Molecular FormulaC16H19N5O5
Molecular Weight361.36 g/mol
Exact Mass361.14
IUPAC Name[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCO[C@@H](CNC(=O)O)C3)c2n1
InChIInChI=1S/C16H19N5O5/c1-25-13-3-2-11-14(20-13)12(4-5-17-11)19-15(22)21-6-7-26-10(9-21)8-18-16(23)24/h2-5,10,18H,6-9H2,1H3,(H,23,24)(H,17,19,22)/t10-/m0/s1
InChIKeyMCYPDJRORNBZPN-JTQLQIEISA-N
XLogP1.14
TPSA125.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid?
The IUPAC name of [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid (CID 69444143) is [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid.
What is the SMILES notation for [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid?
The canonical SMILES for [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid is COc1ccc2nccc(NC(=O)N3CCO[C@@H](CNC(=O)O)C3)c2n1.
What is the InChIKey of [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid?
The InChIKey is MCYPDJRORNBZPN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5O5/c1-25-13-3-2-11-14(20-13)12(4-5-17-11)19-15(22)21-6-7-26-10(9-21)8-18-16(23)24/h2-5,10,18H,6-9H2,1H3,(H,23,24)(H,17,19,22)/t10-/m0/s1.
What are the key properties of [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid?
[(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid has a molecular weight of 361.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoyl]morpholin-2-yl]methylcarbamic acid is sourced from PubChem (CID 69444143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).