N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C18H23N3O3 — CID 95207080

IUPACN-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CN2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cc1O
InChIInChI=1S/C18H23N3O3/c1-24-17-5-4-13(9-16(17)22)11-21-8-6-14(12-21)10-20-18(23)15-3-2-7-19-15/h2-5,7,9,14,19,22H,6,8,10-12H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeySKDMZUDULLLTDD-CQSZACIVSA-N
MW329.40 g/mol
LogP1.98
Rot. Bonds6

About N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 95207080) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID95207080
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CN2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cc1O
InChIInChI=1S/C18H23N3O3/c1-24-17-5-4-13(9-16(17)22)11-21-8-6-14(12-21)10-20-18(23)15-3-2-7-19-15/h2-5,7,9,14,19,22H,6,8,10-12H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeySKDMZUDULLLTDD-CQSZACIVSA-N
XLogP1.98
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95187962
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95192328
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 95208505
4-fluoro-7-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 167889615

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 95207080) is N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is COc1ccc(CN2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cc1O.
What is the InChIKey of N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SKDMZUDULLLTDD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-17-5-4-13(9-16(17)22)11-21-8-6-14(12-21)10-20-18(23)15-3-2-7-19-15/h2-5,7,9,14,19,22H,6,8,10-12H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).