CID 110211869

C21H24ClN5O3 — CID 110211869

IUPAC—
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C21H24ClN5O3/c1-13-16(10-26(2)25-13)19(29)27-7-5-20(6-8-27)11-21(12-30-20)23-17-4-3-14(22)9-15(17)18(28)24-21/h3-4,9-10,23H,5-8,11-12H2,1-2H3,(H,24,28)
InChIKeyUACXZBXVRVTIEY-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.33
Rot. Bonds1

About CID 110211869

CID 110211869 (PubChem CID 110211869) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol.

Molecular Properties

Compound NameCID 110211869
PubChem CID110211869
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name—
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C21H24ClN5O3/c1-13-16(10-26(2)25-13)19(29)27-7-5-20(6-8-27)11-21(12-30-20)23-17-4-3-14(22)9-15(17)18(28)24-21/h3-4,9-10,23H,5-8,11-12H2,1-2H3,(H,24,28)
InChIKeyUACXZBXVRVTIEY-UHFFFAOYSA-N
XLogP2.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 110211869?
The IUPAC name of CID 110211869 (CID 110211869) is not available.
What is the SMILES notation for CID 110211869?
The canonical SMILES for CID 110211869 is Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of CID 110211869?
The InChIKey is UACXZBXVRVTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-13-16(10-26(2)25-13)19(29)27-7-5-20(6-8-27)11-21(12-30-20)23-17-4-3-14(22)9-15(17)18(28)24-21/h3-4,9-10,23H,5-8,11-12H2,1-2H3,(H,24,28).
What are the key properties of CID 110211869?
CID 110211869 has a molecular weight of 429.91 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211869 is sourced from PubChem (CID 110211869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).