N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide

C22H29N3O3 — CID 166305364

IUPACN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide
SMILESCc1cccc(Oc2cc(CNC(=O)C(C)(C)C3(O)CCNC3)ccn2)c1C
InChIInChI=1S/C22H29N3O3/c1-15-6-5-7-18(16(15)2)28-19-12-17(8-10-24-19)13-25-20(26)21(3,4)22(27)9-11-23-14-22/h5-8,10,12,23,27H,9,11,13-14H2,1-4H3,(H,25,26)
InChIKeyDOOMETUONVGYDS-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.86
Rot. Bonds6

About N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide

N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide (PubChem CID 166305364) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide
PubChem CID166305364
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide
SMILESCc1cccc(Oc2cc(CNC(=O)C(C)(C)C3(O)CCNC3)ccn2)c1C
InChIInChI=1S/C22H29N3O3/c1-15-6-5-7-18(16(15)2)28-19-12-17(8-10-24-19)13-25-20(26)21(3,4)22(27)9-11-23-14-22/h5-8,10,12,23,27H,9,11,13-14H2,1-4H3,(H,25,26)
InChIKeyDOOMETUONVGYDS-UHFFFAOYSA-N
XLogP2.86
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641960
2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 62997542
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
N-[[2-(2,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296390
1-[(2,3-dimethylphenoxy)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108878547
1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86989203
N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 166226980

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide?
The IUPAC name of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide (CID 166305364) is N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide?
The canonical SMILES for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide is Cc1cccc(Oc2cc(CNC(=O)C(C)(C)C3(O)CCNC3)ccn2)c1C.
What is the InChIKey of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide?
The InChIKey is DOOMETUONVGYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-6-5-7-18(16(15)2)28-19-12-17(8-10-24-19)13-25-20(26)21(3,4)22(27)9-11-23-14-22/h5-8,10,12,23,27H,9,11,13-14H2,1-4H3,(H,25,26).
What are the key properties of N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide?
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide has a molecular weight of 383.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]-2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 166305364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).