3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide

C19H27N5O — CID 110258138

IUPAC3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C19H27N5O/c1-13(2)24-8-4-5-18(24)17-10-15(9-14(3)22-17)6-7-19(25)23-16-11-20-21-12-16/h9-13,18H,4-8H2,1-3H3,(H,20,21)(H,23,25)
InChIKeyBQVQMHWXCGRPQH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide

3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 110258138) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
PubChem CID110258138
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1
InChIInChI=1S/C19H27N5O/c1-13(2)24-8-4-5-18(24)17-10-15(9-14(3)22-17)6-7-19(25)23-16-11-20-21-12-16/h9-13,18H,4-8H2,1-3H3,(H,20,21)(H,23,25)
InChIKeyBQVQMHWXCGRPQH-UHFFFAOYSA-N
XLogP3.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide (CID 110258138) is 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide is Cc1cc(CCC(=O)Nc2cn[nH]c2)cc(C2CCCN2C(C)C)n1.
What is the InChIKey of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is BQVQMHWXCGRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(2)24-8-4-5-18(24)17-10-15(9-14(3)22-17)6-7-19(25)23-16-11-20-21-12-16/h9-13,18H,4-8H2,1-3H3,(H,20,21)(H,23,25).
What are the key properties of 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide?
3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 110258138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).