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2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide

C19H25N5O2 — CID 167924107

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc(C)n1
InChIInChI=1S/C19H25N5O2/c1-11(2)16-9-17(23-22-16)19(26)24-6-5-15(10-24)21-18(25)14-7-12(3)20-13(4)8-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyFTIWTUIWJIBJDW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds4

About 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide

2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 167924107) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID167924107
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc(C)n1
InChIInChI=1S/C19H25N5O2/c1-11(2)16-9-17(23-22-16)19(26)24-6-5-15(10-24)21-18(25)14-7-12(3)20-13(4)8-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyFTIWTUIWJIBJDW-UHFFFAOYSA-N
XLogP2.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide (CID 167924107) is 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is FTIWTUIWJIBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11(2)16-9-17(23-22-16)19(26)24-6-5-15(10-24)21-18(25)14-7-12(3)20-13(4)8-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 167924107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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