N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide

C24H31N3O3 — CID 91668724

IUPACN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1
InChIInChI=1S/C24H31N3O3/c1-16(2)29-23-14-20(10-12-25-23)27-13-11-22(15-27)30-21-8-6-18(7-9-21)17(3)26-24(28)19-4-5-19/h6-10,12,14,16-17,19,22H,4-5,11,13,15H2,1-3H3,(H,26,28)/t17-,22?/m0/s1
InChIKeyZMYKRMOVAAJLKS-LBOXEOMUSA-N
MW409.53 g/mol
LogP4.11
Rot. Bonds8

About N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide

N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide (PubChem CID 91668724) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
PubChem CID91668724
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1
InChIInChI=1S/C24H31N3O3/c1-16(2)29-23-14-20(10-12-25-23)27-13-11-22(15-27)30-21-8-6-18(7-9-21)17(3)26-24(28)19-4-5-19/h6-10,12,14,16-17,19,22H,4-5,11,13,15H2,1-3H3,(H,26,28)/t17-,22?/m0/s1
InChIKeyZMYKRMOVAAJLKS-LBOXEOMUSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
2-(4-methylphenoxy)-N-4-pyridinylpropanamide
CID 6472042
N-[(2S)-4-(4-{[6-(propan-2-yloxy)pyridin-3-yl]oxy}phenyl)butan-2-yl]acetamide
CID 44554862
(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
N-(4-(4-(5-(cyclopentyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 44608464
N-{3-[4-(5-Benzyloxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608622
N-{3-[4-(5-Isopropoxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608623
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}formamide
CID 49855399
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}cyclopropanecarboxamide
CID 49855401
(S)-N-(4-(4-(5-(benzyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 49855596

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide (CID 91668724) is N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide is CC(C)Oc1cc(N2CCC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZMYKRMOVAAJLKS-LBOXEOMUSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16(2)29-23-14-20(10-12-25-23)27-13-11-22(15-27)30-21-8-6-18(7-9-21)17(3)26-24(28)19-4-5-19/h6-10,12,14,16-17,19,22H,4-5,11,13,15H2,1-3H3,(H,26,28)/t17-,22?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide?
N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(2-propan-2-yloxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 91668724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).