5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide

C20H17N5O — CID 137375516

IUPAC5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1cccnc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C20H17N5O/c1-13-6-5-11-21-19(13)25-14(2)16(12-22-25)20(26)24-18-10-9-15-7-3-4-8-17(15)23-18/h3-12H,1-2H3,(H,23,24,26)
InChIKeyMLAVKAGTTWXDNP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds3

About 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide

5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375516) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375516
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1cccnc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C20H17N5O/c1-13-6-5-11-21-19(13)25-14(2)16(12-22-25)20(26)24-18-10-9-15-7-3-4-8-17(15)23-18/h3-12H,1-2H3,(H,23,24,26)
InChIKeyMLAVKAGTTWXDNP-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zoniporide
CID 6433110
Cirtuvivint
CID 132056570
6-cyclopropyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
CID 25099474
Gpd-1116
CID 9841417
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
US10774086, Example 2
CID 134551579
US10774086, Example 9
CID 134551591

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375516) is 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1cccnc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C.
What is the InChIKey of 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is MLAVKAGTTWXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-5-11-21-19(13)25-14(2)16(12-22-25)20(26)24-18-10-9-15-7-3-4-8-17(15)23-18/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).