CID 149337863

C24H30IN4O- — CID 149337863

IUPAC—
SMILESC=C(c1ccc(N2C(=O)[I-]CC2C)cc1)N1CCN(c2ncc(CC)cc2C)CC1
InChIInChI=1S/C24H30IN4O/c1-5-20-14-17(2)23(26-16-20)28-12-10-27(11-13-28)19(4)21-6-8-22(9-7-21)29-18(3)15-25-24(29)30/h6-9,14,16,18H,4-5,10-13,15H2,1-3H3/q-1
InChIKeyFRLQLGFUUVPNOY-UHFFFAOYSA-N
MW517.44 g/mol
LogP1.16
Rot. Bonds5

About CID 149337863

CID 149337863 (PubChem CID 149337863) has the molecular formula C24H30IN4O- and a molecular weight of 517.44 g/mol.

Molecular Properties

Compound NameCID 149337863
PubChem CID149337863
Molecular FormulaC24H30IN4O-
Molecular Weight517.44 g/mol
Exact Mass517.15
IUPAC Name—
SMILESC=C(c1ccc(N2C(=O)[I-]CC2C)cc1)N1CCN(c2ncc(CC)cc2C)CC1
InChIInChI=1S/C24H30IN4O/c1-5-20-14-17(2)23(26-16-20)28-12-10-27(11-13-28)19(4)21-6-8-22(9-7-21)29-18(3)15-25-24(29)30/h6-9,14,16,18H,4-5,10-13,15H2,1-3H3/q-1
InChIKeyFRLQLGFUUVPNOY-UHFFFAOYSA-N
XLogP1.16
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.44
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
CID 71252040
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
2-methylidene-3-[3-methyl-4-[1-[4-(3-methyl-5-propyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-1,3-oxazolidine
CID 143982821
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252131
1-[5-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-3,5,5-trimethylimidazolidine-2,4-dione
CID 71252832
N'-[4-[1-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]ethenyl]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 131995891
(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 58484670
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(pyrrolidine-1-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252388

Frequently Asked Questions

What is the IUPAC name of CID 149337863?
The IUPAC name of CID 149337863 (CID 149337863) is not available.
What is the SMILES notation for CID 149337863?
The canonical SMILES for CID 149337863 is C=C(c1ccc(N2C(=O)[I-]CC2C)cc1)N1CCN(c2ncc(CC)cc2C)CC1.
What is the InChIKey of CID 149337863?
The InChIKey is FRLQLGFUUVPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30IN4O/c1-5-20-14-17(2)23(26-16-20)28-12-10-27(11-13-28)19(4)21-6-8-22(9-7-21)29-18(3)15-25-24(29)30/h6-9,14,16,18H,4-5,10-13,15H2,1-3H3/q-1.
What are the key properties of CID 149337863?
CID 149337863 has a molecular weight of 517.44 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149337863 is sourced from PubChem (CID 149337863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).