3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide

C18H25N5O — CID 110255751

IUPAC3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide
SMILESCc1cc(CCC(N)=O)cc(C2CCCN2Cc2ccnn2C)n1
InChIInChI=1S/C18H25N5O/c1-13-10-14(5-6-18(19)24)11-16(21-13)17-4-3-9-23(17)12-15-7-8-20-22(15)2/h7-8,10-11,17H,3-6,9,12H2,1-2H3,(H2,19,24)
InChIKeyGHDHRCQCTCHBQW-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.88
Rot. Bonds6

About 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide

3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide (PubChem CID 110255751) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide
PubChem CID110255751
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide
SMILESCc1cc(CCC(N)=O)cc(C2CCCN2Cc2ccnn2C)n1
InChIInChI=1S/C18H25N5O/c1-13-10-14(5-6-18(19)24)11-16(21-13)17-4-3-9-23(17)12-15-7-8-20-22(15)2/h7-8,10-11,17H,3-6,9,12H2,1-2H3,(H2,19,24)
InChIKeyGHDHRCQCTCHBQW-UHFFFAOYSA-N
XLogP1.88
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide?
The IUPAC name of 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide (CID 110255751) is 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide.
What is the SMILES notation for 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide?
The canonical SMILES for 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide is Cc1cc(CCC(N)=O)cc(C2CCCN2Cc2ccnn2C)n1.
What is the InChIKey of 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide?
The InChIKey is GHDHRCQCTCHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-10-14(5-6-18(19)24)11-16(21-13)17-4-3-9-23(17)12-15-7-8-20-22(15)2/h7-8,10-11,17H,3-6,9,12H2,1-2H3,(H2,19,24).
What are the key properties of 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide?
3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide is sourced from PubChem (CID 110255751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).