CID 155750104

C23H24KN5O — CID 155750104

IUPAC—
SMILESCc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C4CC4)[CH-]3)c2)c1.[K+]
InChIInChI=1S/C23H24N5O.K/c1-16-10-19(13-24-12-16)23(29)27-20-5-3-4-18(11-20)17(2)25-8-9-26-21-14-28(15-21)22-6-7-22;/h3-5,9-15,17,22,25H,6-7H2,1-2H3,(H,27,29);/q-1;+1
InChIKeyOGCWTOQSDYGWBQ-UHFFFAOYSA-N
MW425.58 g/mol
LogP0.43
Rot. Bonds7

About CID 155750104

CID 155750104 (PubChem CID 155750104) has the molecular formula C23H24KN5O and a molecular weight of 425.58 g/mol.

Molecular Properties

Compound NameCID 155750104
PubChem CID155750104
Molecular FormulaC23H24KN5O
Molecular Weight425.58 g/mol
Exact Mass425.16
IUPAC Name—
SMILESCc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C4CC4)[CH-]3)c2)c1.[K+]
InChIInChI=1S/C23H24N5O.K/c1-16-10-19(13-24-12-16)23(29)27-20-5-3-4-18(11-20)17(2)25-8-9-26-21-14-28(15-21)22-6-7-22;/h3-5,9-15,17,22,25H,6-7H2,1-2H3,(H,27,29);/q-1;+1
InChIKeyOGCWTOQSDYGWBQ-UHFFFAOYSA-N
XLogP0.43
TPSA69.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 155750122
CID 155750122
potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155749814
CID 155750151
CID 155750151
CID 155750220
CID 155750220
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
CID 155750143
CID 155750143
5-methyl-N-[3-[1-[(7-methyl-2-aza-7-azoniabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 155750544
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
N-[3-[1-[[6-(ethenylamino)-5-methyl-3-pyridinyl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155750025
N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
CID 155750048
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356

Frequently Asked Questions

What is the IUPAC name of CID 155750104?
The IUPAC name of CID 155750104 (CID 155750104) is not available.
What is the SMILES notation for CID 155750104?
The canonical SMILES for CID 155750104 is Cc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C4CC4)[CH-]3)c2)c1.[K+].
What is the InChIKey of CID 155750104?
The InChIKey is OGCWTOQSDYGWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N5O.K/c1-16-10-19(13-24-12-16)23(29)27-20-5-3-4-18(11-20)17(2)25-8-9-26-21-14-28(15-21)22-6-7-22;/h3-5,9-15,17,22,25H,6-7H2,1-2H3,(H,27,29);/q-1;+1.
What are the key properties of CID 155750104?
CID 155750104 has a molecular weight of 425.58 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155750104 is sourced from PubChem (CID 155750104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).