N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

C19H27N5O2 — CID 162468301

IUPACN-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(C[C@H]2CCN(C(C)c3cc(NC(C)=O)n[nH]3)C2)cc(C)n1
InChIInChI=1S/C19H27N5O2/c1-12-7-16(9-19(20-12)26-4)8-15-5-6-24(11-15)13(2)17-10-18(23-22-17)21-14(3)25/h7,9-10,13,15H,5-6,8,11H2,1-4H3,(H2,21,22,23,25)/t13?,15-/m1/s1
InChIKeyKTGALPLFPUGIEW-AWKYBWMHSA-N
MW357.46 g/mol
LogP2.71
Rot. Bonds6

About N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide

N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 162468301) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
PubChem CID162468301
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(C[C@H]2CCN(C(C)c3cc(NC(C)=O)n[nH]3)C2)cc(C)n1
InChIInChI=1S/C19H27N5O2/c1-12-7-16(9-19(20-12)26-4)8-15-5-6-24(11-15)13(2)17-10-18(23-22-17)21-14(3)25/h7,9-10,13,15H,5-6,8,11H2,1-4H3,(H2,21,22,23,25)/t13?,15-/m1/s1
InChIKeyKTGALPLFPUGIEW-AWKYBWMHSA-N
XLogP2.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(dimethylsulfamoyl)-3-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]pyrazol-5-yl]acetamide
CID 146287891
N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 146287845
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146288089
5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285034
N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide
CID 146288215
5-fluoro-6-[(1R)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
CID 146283789
5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
CID 159062093
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide (CID 162468301) is N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is COc1cc(C[C@H]2CCN(C(C)c3cc(NC(C)=O)n[nH]3)C2)cc(C)n1.
What is the InChIKey of N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is KTGALPLFPUGIEW-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-7-16(9-19(20-12)26-4)8-15-5-6-24(11-15)13(2)17-10-18(23-22-17)21-14(3)25/h7,9-10,13,15H,5-6,8,11H2,1-4H3,(H2,21,22,23,25)/t13?,15-/m1/s1.
What are the key properties of N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide?
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 162468301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).