N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide

C19H16N8O2 — CID 165415179

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)C1C(=O)NC=C/C1=N\c1cncnc1
InChIInChI=1S/C19H16N8O2/c1-27-16(8-15(26-27)13-4-2-3-6-22-13)25-19(29)17-14(5-7-23-18(17)28)24-12-9-20-11-21-10-12/h2-11,17H,1H3,(H,23,28)(H,25,29)/b24-14+
InChIKeyHKJSDUQNHCCJAG-ZVHZXABRSA-N
MW388.39 g/mol
LogP1.24
Rot. Bonds4

About N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide

N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide (PubChem CID 165415179) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide
PubChem CID165415179
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)C1C(=O)NC=C/C1=N\c1cncnc1
InChIInChI=1S/C19H16N8O2/c1-27-16(8-15(26-27)13-4-2-3-6-22-13)25-19(29)17-14(5-7-23-18(17)28)24-12-9-20-11-21-10-12/h2-11,17H,1H3,(H,23,28)(H,25,29)/b24-14+
InChIKeyHKJSDUQNHCCJAG-ZVHZXABRSA-N
XLogP1.24
TPSA127.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide (CID 165415179) is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide is Cn1nc(-c2ccccn2)cc1NC(=O)C1C(=O)NC=C/C1=N\c1cncnc1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide?
The InChIKey is HKJSDUQNHCCJAG-ZVHZXABRSA-N. The full InChI is InChI=1S/C19H16N8O2/c1-27-16(8-15(26-27)13-4-2-3-6-22-13)25-19(29)17-14(5-7-23-18(17)28)24-12-9-20-11-21-10-12/h2-11,17H,1H3,(H,23,28)(H,25,29)/b24-14+.
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-oxo-4-pyrimidin-5-ylimino-1H-pyridine-3-carboxamide is sourced from PubChem (CID 165415179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).