N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

C22H26N6O2 — CID 172663101

IUPACN-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cnc(Cn2ccc(C)c(C(=O)Nc3cc(C)nn3C3CCCC3)c2=O)cn1
InChIInChI=1S/C22H26N6O2/c1-14-8-9-27(13-17-12-23-16(3)11-24-17)22(30)20(14)21(29)25-19-10-15(2)26-28(19)18-6-4-5-7-18/h8-12,18H,4-7,13H2,1-3H3,(H,25,29)
InChIKeyCWEJHZJTWKCABO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.18
Rot. Bonds5

About N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172663101) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID172663101
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cnc(Cn2ccc(C)c(C(=O)Nc3cc(C)nn3C3CCCC3)c2=O)cn1
InChIInChI=1S/C22H26N6O2/c1-14-8-9-27(13-17-12-23-16(3)11-24-17)22(30)20(14)21(29)25-19-10-15(2)26-28(19)18-6-4-5-7-18/h8-12,18H,4-7,13H2,1-3H3,(H,25,29)
InChIKeyCWEJHZJTWKCABO-UHFFFAOYSA-N
XLogP3.18
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172663101) is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cc(C)nn3C3CCCC3)c2=O)cn1.
What is the InChIKey of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CWEJHZJTWKCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-8-9-27(13-17-12-23-16(3)11-24-17)22(30)20(14)21(29)25-19-10-15(2)26-28(19)18-6-4-5-7-18/h8-12,18H,4-7,13H2,1-3H3,(H,25,29).
What are the key properties of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172663101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).