CID 58197049

C19H25BrN4O — CID 58197049

IUPAC—
SMILESCN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(N(C)C)CC1
InChIInChI=1S/C19H25BrN4O/c1-23(2)14-6-8-18(9-7-14)11-12-4-5-13(20)10-15(12)19(18)16(25)24(3)17(21)22-19/h4-5,10,14H,6-9,11H2,1-3H3,(H2,21,22)
InChIKeyUBPMBZHRZCYIRT-UHFFFAOYSA-N
MW405.34 g/mol
LogP2.48
Rot. Bonds1

About CID 58197049

CID 58197049 (PubChem CID 58197049) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol.

Molecular Properties

Compound NameCID 58197049
PubChem CID58197049
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name—
SMILESCN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(N(C)C)CC1
InChIInChI=1S/C19H25BrN4O/c1-23(2)14-6-8-18(9-7-14)11-12-4-5-13(20)10-15(12)19(18)16(25)24(3)17(21)22-19/h4-5,10,14H,6-9,11H2,1-3H3,(H2,21,22)
InChIKeyUBPMBZHRZCYIRT-UHFFFAOYSA-N
XLogP2.48
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197049?
The IUPAC name of CID 58197049 (CID 58197049) is not available.
What is the SMILES notation for CID 58197049?
The canonical SMILES for CID 58197049 is CN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCC(N(C)C)CC1.
What is the InChIKey of CID 58197049?
The InChIKey is UBPMBZHRZCYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-23(2)14-6-8-18(9-7-14)11-12-4-5-13(20)10-15(12)19(18)16(25)24(3)17(21)22-19/h4-5,10,14H,6-9,11H2,1-3H3,(H2,21,22).
What are the key properties of CID 58197049?
CID 58197049 has a molecular weight of 405.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197049 is sourced from PubChem (CID 58197049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).