N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide

C12H11N5O — CID 104593096

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2nn(C)cc2C#N)c1
InChIInChI=1S/C12H11N5O/c1-8-3-9(6-14-5-8)12(18)15-11-10(4-13)7-17(2)16-11/h3,5-7H,1-2H3,(H,15,16,18)
InChIKeyGNMGPBYMEDXPBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.25
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide

N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide (PubChem CID 104593096) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
PubChem CID104593096
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2nn(C)cc2C#N)c1
InChIInChI=1S/C12H11N5O/c1-8-3-9(6-14-5-8)12(18)15-11-10(4-13)7-17(2)16-11/h3,5-7H,1-2H3,(H,15,16,18)
InChIKeyGNMGPBYMEDXPBT-UHFFFAOYSA-N
XLogP1.25
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 127669894
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CID 113248158
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
N-(4-cyano-1-methylpyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 104593117
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
CID 112697621
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
CID 104593236
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104593100

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide (CID 104593096) is N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2nn(C)cc2C#N)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is GNMGPBYMEDXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-3-9(6-14-5-8)12(18)15-11-10(4-13)7-17(2)16-11/h3,5-7H,1-2H3,(H,15,16,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide?
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 104593096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).