3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide

C17H23N5O — CID 154735989

IUPAC3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide
SMILESCC(CC1CCCC1)C(=O)Nc1cncc(-c2nncn2C)c1
InChIInChI=1S/C17H23N5O/c1-12(7-13-5-3-4-6-13)17(23)20-15-8-14(9-18-10-15)16-21-19-11-22(16)2/h8-13H,3-7H2,1-2H3,(H,20,23)
InChIKeyQRNTXFYEGBXIMJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.03
Rot. Bonds5

About 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide

3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide (PubChem CID 154735989) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide
PubChem CID154735989
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide
SMILESCC(CC1CCCC1)C(=O)Nc1cncc(-c2nncn2C)c1
InChIInChI=1S/C17H23N5O/c1-12(7-13-5-3-4-6-13)17(23)20-15-8-14(9-18-10-15)16-21-19-11-22(16)2/h8-13H,3-7H2,1-2H3,(H,20,23)
InChIKeyQRNTXFYEGBXIMJ-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide (CID 154735989) is 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide is CC(CC1CCCC1)C(=O)Nc1cncc(-c2nncn2C)c1.
What is the InChIKey of 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide?
The InChIKey is QRNTXFYEGBXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(7-13-5-3-4-6-13)17(23)20-15-8-14(9-18-10-15)16-21-19-11-22(16)2/h8-13H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide?
3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide has a molecular weight of 313.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 154735989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).