N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C12H16N4O3 — CID 87147895

IUPACN-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCNCC(=O)N1CCc2cc(C(=O)NO)cnc2C1
InChIInChI=1S/C12H16N4O3/c1-13-6-11(17)16-3-2-8-4-9(12(18)15-19)5-14-10(8)7-16/h4-5,13,19H,2-3,6-7H2,1H3,(H,15,18)
InChIKeyROAMKJLCYRHKQO-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.70
Rot. Bonds3

About N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 87147895) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID87147895
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCNCC(=O)N1CCc2cc(C(=O)NO)cnc2C1
InChIInChI=1S/C12H16N4O3/c1-13-6-11(17)16-3-2-8-4-9(12(18)15-19)5-14-10(8)7-16/h4-5,13,19H,2-3,6-7H2,1H3,(H,15,18)
InChIKeyROAMKJLCYRHKQO-UHFFFAOYSA-N
XLogP-0.70
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 87147895) is N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is CNCC(=O)N1CCc2cc(C(=O)NO)cnc2C1.
What is the InChIKey of N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is ROAMKJLCYRHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-13-6-11(17)16-3-2-8-4-9(12(18)15-19)5-14-10(8)7-16/h4-5,13,19H,2-3,6-7H2,1H3,(H,15,18).
What are the key properties of N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 87147895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).