potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide

C25H23KN7O- — CID 155750218

IUPACpotassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/Nc3[cH-]c(-c4cncnc4)cn3)c2)c1.[K+]
InChIInChI=1S/C25H23N7O.K/c1-17-8-21(12-26-11-17)25(33)32-23-5-3-4-19(9-23)18(2)29-6-7-30-24-10-20(15-31-24)22-13-27-16-28-14-22;/h3-5,7-16,18,29H,1-2H3,(H,30,31)(H,32,33);/q-2;+1
InChIKeyYWUBQJICEAUREV-UHFFFAOYSA-N
MW476.61 g/mol
LogP1.25
Rot. Bonds8

About potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide

potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 155750218) has the molecular formula C25H23KN7O- and a molecular weight of 476.61 g/mol. Its IUPAC name is potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namepotassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
PubChem CID155750218
Molecular FormulaC25H23KN7O-
Molecular Weight476.61 g/mol
Exact Mass476.16
IUPAC Namepotassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/Nc3[cH-]c(-c4cncnc4)cn3)c2)c1.[K+]
InChIInChI=1S/C25H23N7O.K/c1-17-8-21(12-26-11-17)25(33)32-23-5-3-4-19(9-23)18(2)29-6-7-30-24-10-20(15-31-24)22-13-27-16-28-14-22;/h3-5,7-16,18,29H,1-2H3,(H,30,31)(H,32,33);/q-2;+1
InChIKeyYWUBQJICEAUREV-UHFFFAOYSA-N
XLogP1.25
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 155750104
CID 155750104
N-[3-[1-[[6-(ethenylamino)-5-methyl-3-pyridinyl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155750025
potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155749814
CID 155750122
CID 155750122
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356
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
5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155437884
CID 155750143
CID 155750143
N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
CID 155750048
N-[3-[(1S)-1-[(7-methoxyquinolin-3-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155451451
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155438884
5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171

Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 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) is potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(C(C)N/[C-]=C/Nc3[cH-]c(-c4cncnc4)cn3)c2)c1.[K+].
What is the InChIKey of potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YWUBQJICEAUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O.K/c1-17-8-21(12-26-11-17)25(33)32-23-5-3-4-19(9-23)18(2)29-6-7-30-24-10-20(15-31-24)22-13-27-16-28-14-22;/h3-5,7-16,18,29H,1-2H3,(H,30,31)(H,32,33);/q-2;+1.
What are the key properties of potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 476.61 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155750218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).