5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide

C21H24N6O2 — CID 23143604

IUPAC5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nc1
InChIInChI=1S/C21H24N6O2/c1-14(28)23-11-15-7-8-17(24-12-15)19-10-18(20(29)25-21(2,3)4)26-27(19)16-6-5-9-22-13-16/h5-10,12-13H,11H2,1-4H3,(H,23,28)(H,25,29)
InChIKeyBYIAKYWVUMINDV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.49
Rot. Bonds5

About 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide

5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 23143604) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID23143604
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nc1
InChIInChI=1S/C21H24N6O2/c1-14(28)23-11-15-7-8-17(24-12-15)19-10-18(20(29)25-21(2,3)4)26-27(19)16-6-5-9-22-13-16/h5-10,12-13H,11H2,1-4H3,(H,23,28)(H,25,29)
InChIKeyBYIAKYWVUMINDV-UHFFFAOYSA-N
XLogP2.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

methyl 3-[6-[3-(tert-butylcarbamoyl)-1-pyridin-3-ylpyrazol-5-yl]-3-pyridinyl]propanoate
CID 23143591
N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143690
N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143796
N-(1-fluoro-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143688
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
6-[3-[(1-fluoro-2-methylpropan-2-yl)carbamoyl]-1-pyridin-3-ylpyrazol-5-yl]pyridine-3-carboxamide
CID 23143470
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
CID 23143602
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890

Frequently Asked Questions

What is the IUPAC name of 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide (CID 23143604) is 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide is CC(=O)NCc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nc1.
What is the InChIKey of 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is BYIAKYWVUMINDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(28)23-11-15-7-8-17(24-12-15)19-10-18(20(29)25-21(2,3)4)26-27(19)16-6-5-9-22-13-16/h5-10,12-13H,11H2,1-4H3,(H,23,28)(H,25,29).
What are the key properties of 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 23143604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).