N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide

C23H29N3O3 — CID 118473361

IUPACN-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3C)C2)nc1
InChIInChI=1S/C23H29N3O3/c1-15-12-20(28-19-5-6-19)7-8-22(15)26-11-10-21(14-26)29-23-9-4-18(13-24-23)16(2)25-17(3)27/h4,7-9,12-13,16,19,21H,5-6,10-11,14H2,1-3H3,(H,25,27)/t16-,21?/m0/s1
InChIKeyOOHKWDGVQKUQSB-BJQOMGFOSA-N
MW395.50 g/mol
LogP3.79
Rot. Bonds7

About N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide

N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide (PubChem CID 118473361) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide
PubChem CID118473361
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3C)C2)nc1
InChIInChI=1S/C23H29N3O3/c1-15-12-20(28-19-5-6-19)7-8-22(15)26-11-10-21(14-26)29-23-9-4-18(13-24-23)16(2)25-17(3)27/h4,7-9,12-13,16,19,21H,5-6,10-11,14H2,1-3H3,(H,25,27)/t16-,21?/m0/s1
InChIKeyOOHKWDGVQKUQSB-BJQOMGFOSA-N
XLogP3.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
N-[(2S)-4-(4-{[6-(propan-2-yloxy)pyridin-3-yl]oxy}phenyl)butan-2-yl]acetamide
CID 44554862
N-(4-(4-(5-(cyclopentyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 44608464
N-{3-[4-(5-Isopropoxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608623
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}cyclopropanecarboxamide
CID 49855401
(S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 49855598
N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]cyclopropanecarboxamide
CID 49855600
Acetamide, N-[(1S)-1-methyl-3-[4-[[6-(1-methylethoxy)-3-pyridinyl]oxy]phenyl]propyl]-
CID 67071746
(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939
Acetamide, 2-(bis(1-methylethyl)amino)-N-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-
CID 13518610

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide (CID 118473361) is N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3C)C2)nc1.
What is the InChIKey of N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide?
The InChIKey is OOHKWDGVQKUQSB-BJQOMGFOSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-12-20(28-19-5-6-19)7-8-22(15)26-11-10-21(14-26)29-23-9-4-18(13-24-23)16(2)25-17(3)27/h4,7-9,12-13,16,19,21H,5-6,10-11,14H2,1-3H3,(H,25,27)/t16-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide?
N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-[1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 118473361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).