CID 155750122

C24H29KN6O — CID 155750122

IUPAC—
SMILESCc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cnc1NC(C)C.[K+]
InChIInChI=1S/C24H29N6O.K/c1-16(2)28-23-17(3)11-20(13-27-23)24(31)29-21-8-6-7-19(12-21)18(4)25-9-10-26-22-14-30(5)15-22;/h6-8,10-16,18,25H,1-5H3,(H,27,28)(H,29,31);/q-1;+1
InChIKeyDTWQZEHUSSKUQH-UHFFFAOYSA-N
MW456.64 g/mol
LogP0.72
Rot. Bonds8

About CID 155750122

CID 155750122 (PubChem CID 155750122) has the molecular formula C24H29KN6O and a molecular weight of 456.64 g/mol.

Molecular Properties

Compound NameCID 155750122
PubChem CID155750122
Molecular FormulaC24H29KN6O
Molecular Weight456.64 g/mol
Exact Mass456.20
IUPAC Name—
SMILESCc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cnc1NC(C)C.[K+]
InChIInChI=1S/C24H29N6O.K/c1-16(2)28-23-17(3)11-20(13-27-23)24(31)29-21-8-6-7-19(12-21)18(4)25-9-10-26-22-14-30(5)15-22;/h6-8,10-16,18,25H,1-5H3,(H,27,28)(H,29,31);/q-1;+1
InChIKeyDTWQZEHUSSKUQH-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 155750151
CID 155750151
CID 155750220
CID 155750220
CID 155750104
CID 155750104
CID 155750143
CID 155750143
potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide
CID 155750073
potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155749814
potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155750218
N-[3-[1-[[6-(ethenylamino)-5-methyl-3-pyridinyl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155750025
potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155750661
3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507770
4-hydroxy-3-methyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 107675620
N-[3-[1-[(7-ethyl-2,5-diaza-7-azoniabicyclo[4.2.0]octa-1,3,5,7-tetraen-4-yl)amino]ethyl]phenyl]-5-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155750488

Frequently Asked Questions

What is the IUPAC name of CID 155750122?
The IUPAC name of CID 155750122 (CID 155750122) is not available.
What is the SMILES notation for CID 155750122?
The canonical SMILES for CID 155750122 is Cc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cnc1NC(C)C.[K+].
What is the InChIKey of CID 155750122?
The InChIKey is DTWQZEHUSSKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N6O.K/c1-16(2)28-23-17(3)11-20(13-27-23)24(31)29-21-8-6-7-19(12-21)18(4)25-9-10-26-22-14-30(5)15-22;/h6-8,10-16,18,25H,1-5H3,(H,27,28)(H,29,31);/q-1;+1.
What are the key properties of CID 155750122?
CID 155750122 has a molecular weight of 456.64 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155750122 is sourced from PubChem (CID 155750122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).