N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide

C21H26N6O3 — CID 68988412

IUPACN-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCC(C)(C)C#N)n1
InChIInChI=1S/C21H26N6O3/c1-14-7-6-8-15(24-14)19(28)25-16-11-27(17-9-4-5-10-30-17)26-18(16)20(29)23-13-21(2,3)12-22/h6-8,11,17H,4-5,9-10,13H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyDRIYQZQYLSXJAV-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.82
Rot. Bonds6

About N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide

N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide (PubChem CID 68988412) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide
PubChem CID68988412
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCC(C)(C)C#N)n1
InChIInChI=1S/C21H26N6O3/c1-14-7-6-8-15(24-14)19(28)25-16-11-27(17-9-4-5-10-30-17)26-18(16)20(29)23-13-21(2,3)12-22/h6-8,11,17H,4-5,9-10,13H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyDRIYQZQYLSXJAV-UHFFFAOYSA-N
XLogP2.82
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide (CID 68988412) is N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCC(C)(C)C#N)n1.
What is the InChIKey of N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is DRIYQZQYLSXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-7-6-8-15(24-14)19(28)25-16-11-27(17-9-4-5-10-30-17)26-18(16)20(29)23-13-21(2,3)12-22/h6-8,11,17H,4-5,9-10,13H2,1-3H3,(H,23,29)(H,25,28).
What are the key properties of N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide?
N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyano-2-methylpropyl)carbamoyl]-1-(oxan-2-yl)pyrazol-4-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 68988412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).