N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C21H28N4O3 — CID 10091426

IUPACN-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1
InChIInChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27)
InChIKeyBNHUMMLUSHLSRT-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.71
Rot. Bonds5

About N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10091426) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10091426
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1
InChIInChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27)
InChIKeyBNHUMMLUSHLSRT-UHFFFAOYSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10091426) is N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CCN3CCOCC3)c2n1.
What is the InChIKey of N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BNHUMMLUSHLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10091426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).