potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide

C22H22KN6O- — CID 155749814

IUPACpotassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCC(N/[C-]=C/N=c1/cn[nH][cH-]1)c1cccc(NC(=O)c2cncc(C3CC3)c2)c1.[K+]
InChIInChI=1S/C22H22N6O.K/c1-15(24-7-8-25-21-13-26-27-14-21)17-3-2-4-20(10-17)28-22(29)19-9-18(11-23-12-19)16-5-6-16;/h2-4,8-16,24,26H,5-6H2,1H3,(H,28,29);/q-2;+1/b25-21+;
InChIKeyLGAAZNOJABTXEE-JMFMGIQESA-N
MW425.56 g/mol
LogP0.18
Rot. Bonds7

About potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide

potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 155749814) has the molecular formula C22H22KN6O- and a molecular weight of 425.56 g/mol. Its IUPAC name is potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namepotassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
PubChem CID155749814
Molecular FormulaC22H22KN6O-
Molecular Weight425.56 g/mol
Exact Mass425.15
IUPAC Namepotassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCC(N/[C-]=C/N=c1/cn[nH][cH-]1)c1cccc(NC(=O)c2cncc(C3CC3)c2)c1.[K+]
InChIInChI=1S/C22H22N6O.K/c1-15(24-7-8-25-21-13-26-27-14-21)17-3-2-4-20(10-17)28-22(29)19-9-18(11-23-12-19)16-5-6-16;/h2-4,8-16,24,26H,5-6H2,1H3,(H,28,29);/q-2;+1/b25-21+;
InChIKeyLGAAZNOJABTXEE-JMFMGIQESA-N
XLogP0.18
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 50.18
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'}

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Related Compounds

CID 155750104
CID 155750104
CID 155750151
CID 155750151
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
CID 155750122
CID 155750122
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
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541

Frequently Asked Questions

What is the IUPAC name of potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide (CID 155749814) is potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide is CC(N/[C-]=C/N=c1/cn[nH][cH-]1)c1cccc(NC(=O)c2cncc(C3CC3)c2)c1.[K+].
What is the InChIKey of potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is LGAAZNOJABTXEE-JMFMGIQESA-N. The full InChI is InChI=1S/C22H22N6O.K/c1-15(24-7-8-25-21-13-26-27-14-21)17-3-2-4-20(10-17)28-22(29)19-9-18(11-23-12-19)16-5-6-16;/h2-4,8-16,24,26H,5-6H2,1H3,(H,28,29);/q-2;+1/b25-21+;.
What are the key properties of potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide?
potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155749814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).