2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H30N4O2 — CID 93056502

IUPAC2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)NC[C@@H]4CCCO4)CC3)cn2)cc1C
InChIInChI=1S/C23H30N4O2/c1-17-5-6-21(12-18(17)2)27-15-20(13-25-27)19-7-9-26(10-8-19)16-23(28)24-14-22-4-3-11-29-22/h5-7,12-13,15,22H,3-4,8-11,14,16H2,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyPCJJJDQDBZOSMO-QFIPXVFZSA-N
MW394.52 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 93056502) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID93056502
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2cc(C3=CCN(CC(=O)NC[C@@H]4CCCO4)CC3)cn2)cc1C
InChIInChI=1S/C23H30N4O2/c1-17-5-6-21(12-18(17)2)27-15-20(13-25-27)19-7-9-26(10-8-19)16-23(28)24-14-22-4-3-11-29-22/h5-7,12-13,15,22H,3-4,8-11,14,16H2,1-2H3,(H,24,28)/t22-/m0/s1
InChIKeyPCJJJDQDBZOSMO-QFIPXVFZSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50954906
2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95067165
N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46320901
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7080935
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 26345898
N-[[(2S)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 26345894
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 93056502) is 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-n2cc(C3=CCN(CC(=O)NC[C@@H]4CCCO4)CC3)cn2)cc1C.
What is the InChIKey of 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is PCJJJDQDBZOSMO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-5-6-21(12-18(17)2)27-15-20(13-25-27)19-7-9-26(10-8-19)16-23(28)24-14-22-4-3-11-29-22/h5-7,12-13,15,22H,3-4,8-11,14,16H2,1-2H3,(H,24,28)/t22-/m0/s1.
What are the key properties of 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93056502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).