2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C18H20N4O3 — CID 25123661

IUPAC2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(O)C3CC3)nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-16(19)14(18(25)20-2)15(24)12-8-6-11(21-17(12)22)7-9-13(23)10-4-5-10/h6,8,10,13,23H,3-5,19H2,1-2H3,(H,20,25)
InChIKeyPWJXCRWJUTXVLW-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.48
Rot. Bonds3

About 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 25123661) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID25123661
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(O)C3CC3)nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-16(19)14(18(25)20-2)15(24)12-8-6-11(21-17(12)22)7-9-13(23)10-4-5-10/h6,8,10,13,23H,3-5,19H2,1-2H3,(H,20,25)
InChIKeyPWJXCRWJUTXVLW-UHFFFAOYSA-N
XLogP0.48
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 25123661) is 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(O)C3CC3)nc21.
What is the InChIKey of 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PWJXCRWJUTXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-22-16(19)14(18(25)20-2)15(24)12-8-6-11(21-17(12)22)7-9-13(23)10-4-5-10/h6,8,10,13,23H,3-5,19H2,1-2H3,(H,20,25).
What are the key properties of 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3-cyclopropyl-3-hydroxyprop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 25123661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).