N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide

C18H24N4O2 — CID 94097221

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(21-13)17-7-5-15(11-19-17)12-20-18(23)8-6-16-4-3-9-24-16/h5,7,10-11,16H,3-4,6,8-9,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyIWMYUDHNBUMDCH-INIZCTEOSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds6

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 94097221) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID94097221
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(21-13)17-7-5-15(11-19-17)12-20-18(23)8-6-16-4-3-9-24-16/h5,7,10-11,16H,3-4,6,8-9,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyIWMYUDHNBUMDCH-INIZCTEOSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119848570
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (CID 94097221) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is Cc1cc(C)n(-c2ccc(CNC(=O)CC[C@@H]3CCCO3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is IWMYUDHNBUMDCH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-14(2)22(21-13)17-7-5-15(11-19-17)12-20-18(23)8-6-16-4-3-9-24-16/h5,7,10-11,16H,3-4,6,8-9,12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94097221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).