2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C19H22N4O3 — CID 25123332

IUPAC2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC3(O)CCCC3)nc21
InChIInChI=1S/C19H22N4O3/c1-3-23-16(20)14(18(25)21-2)15(24)13-7-6-12(22-17(13)23)8-11-19(26)9-4-5-10-19/h6-7,26H,3-5,9-10,20H2,1-2H3,(H,21,25)
InChIKeyVPAZVXLDZZHJKU-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 25123332) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID25123332
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC3(O)CCCC3)nc21
InChIInChI=1S/C19H22N4O3/c1-3-23-16(20)14(18(25)21-2)15(24)13-7-6-12(22-17(13)23)8-11-19(26)9-4-5-10-19/h6-7,26H,3-5,9-10,20H2,1-2H3,(H,21,25)
InChIKeyVPAZVXLDZZHJKU-UHFFFAOYSA-N
XLogP1.01
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.01
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-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 25123332) is 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC3(O)CCCC3)nc21.
What is the InChIKey of 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VPAZVXLDZZHJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-23-16(20)14(18(25)21-2)15(24)13-7-6-12(22-17(13)23)8-11-19(26)9-4-5-10-19/h6-7,26H,3-5,9-10,20H2,1-2H3,(H,21,25).
What are the key properties of 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[2-(1-hydroxycyclopentyl)ethynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 25123332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).