N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide

C19H25N5O2 — CID 121279690

IUPACN-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-11(2)16-9-18(23-22-16)19(26)24-6-5-14(10-24)17-8-15(21-13(4)25)7-12(3)20-17/h7-9,11,14H,5-6,10H2,1-4H3,(H,22,23)(H,20,21,25)
InChIKeyILWPUMUQJZDDAZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.82
Rot. Bonds4

About N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide

N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide (PubChem CID 121279690) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide
PubChem CID121279690
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-11(2)16-9-18(23-22-16)19(26)24-6-5-14(10-24)17-8-15(21-13(4)25)7-12(3)20-17/h7-9,11,14H,5-6,10H2,1-4H3,(H,22,23)(H,20,21,25)
InChIKeyILWPUMUQJZDDAZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 5
CID 121279569
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687
US10022354, Example 61
CID 121279700
US10022354, Example 69
CID 121279703
US10022354, Example 183
CID 121279732

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide?
The IUPAC name of N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide (CID 121279690) is N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide?
The canonical SMILES for N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide is CC(=O)Nc1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1.
What is the InChIKey of N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide?
The InChIKey is ILWPUMUQJZDDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11(2)16-9-18(23-22-16)19(26)24-6-5-14(10-24)17-8-15(21-13(4)25)7-12(3)20-17/h7-9,11,14H,5-6,10H2,1-4H3,(H,22,23)(H,20,21,25).
What are the key properties of N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide?
N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]acetamide is sourced from PubChem (CID 121279690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).