1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea

C20H26N6O2 — CID 71249472

IUPAC1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCC(=O)N1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1
InChIInChI=1S/C20H26N6O2/c1-14(27)25-8-10-26(11-9-25)16-12-18-17(21-13-16)6-7-19(23-18)24-20(28)22-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H2,22,23,24,28)
InChIKeyDJKGMFNVJVXSCV-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.36
Rot. Bonds3

About 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea

1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea (PubChem CID 71249472) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea
PubChem CID71249472
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCC(=O)N1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1
InChIInChI=1S/C20H26N6O2/c1-14(27)25-8-10-26(11-9-25)16-12-18-17(21-13-16)6-7-19(23-18)24-20(28)22-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H2,22,23,24,28)
InChIKeyDJKGMFNVJVXSCV-UHFFFAOYSA-N
XLogP2.36
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea (CID 71249472) is 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea is CC(=O)N1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1.
What is the InChIKey of 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The InChIKey is DJKGMFNVJVXSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14(27)25-8-10-26(11-9-25)16-12-18-17(21-13-16)6-7-19(23-18)24-20(28)22-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H2,22,23,24,28).
What are the key properties of 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea has a molecular weight of 382.47 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-acetylpiperazin-1-yl)-1,5-naphthyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 71249472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).