N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide

C22H23N5O2 — CID 97104559

IUPACN-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(-c2ccc(N3CC[C@@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1
InChIInChI=1S/C22H23N5O2/c1-15-24-20(29-26-15)16-7-8-19(23-13-16)27-12-9-18(14-27)25-21(28)22(10-11-22)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyUFRZFUVHRQEZDM-GOSISDBHSA-N
MW389.46 g/mol
LogP2.87
Rot. Bonds5

About N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 97104559) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID97104559
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(-c2ccc(N3CC[C@@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1
InChIInChI=1S/C22H23N5O2/c1-15-24-20(29-26-15)16-7-8-19(23-13-16)27-12-9-18(14-27)25-21(28)22(10-11-22)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyUFRZFUVHRQEZDM-GOSISDBHSA-N
XLogP2.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527752
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
CID 55765689
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 91631973
N-[1-(furan-2-yl)ethyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794408

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 97104559) is N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide is Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1.
What is the InChIKey of N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is UFRZFUVHRQEZDM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-24-20(29-26-15)16-7-8-19(23-13-16)27-12-9-18(14-27)25-21(28)22(10-11-22)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 97104559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).