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

C20H28N4O2 — CID 39222297

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H28N4O2/c1-14-18(15(2)24(3)23-14)10-11-19(25)22-13-16-7-6-12-21-20(16)26-17-8-4-5-9-17/h6-7,12,17H,4-5,8-11,13H2,1-3H3,(H,22,25)
InChIKeyFAENBIFDKMDWQF-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.00
Rot. Bonds7

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

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 39222297) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID39222297
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C20H28N4O2/c1-14-18(15(2)24(3)23-14)10-11-19(25)22-13-16-7-6-12-21-20(16)26-17-8-4-5-9-17/h6-7,12,17H,4-5,8-11,13H2,1-3H3,(H,22,25)
InChIKeyFAENBIFDKMDWQF-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 39222297) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FAENBIFDKMDWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-18(15(2)24(3)23-14)10-11-19(25)22-13-16-7-6-12-21-20(16)26-17-8-4-5-9-17/h6-7,12,17H,4-5,8-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39222297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).