N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C22H27N5O — CID 95100369

IUPACN-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESC[C@@H]1CCCCN1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1
InChIInChI=1S/C22H27N5O/c1-17-8-6-7-13-27(17)16-21-24-22(25-28-21)19-11-12-20(23-14-19)26(2)15-18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyAOEQVWDGQZHLQJ-QGZVFWFLSA-N
MW377.49 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 95100369) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID95100369
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESC[C@@H]1CCCCN1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1
InChIInChI=1S/C22H27N5O/c1-17-8-6-7-13-27(17)16-21-24-22(25-28-21)19-11-12-20(23-14-19)26(2)15-18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15-16H2,1-2H3/t17-/m1/s1
InChIKeyAOEQVWDGQZHLQJ-QGZVFWFLSA-N
XLogP4.14
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923436
N-benzyl-5-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 53162776
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
3-(4-methylphenyl)-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 9452459
5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
CID 75131501
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 95100369) is N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is C[C@@H]1CCCCN1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1.
What is the InChIKey of N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is AOEQVWDGQZHLQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-8-6-7-13-27(17)16-21-24-22(25-28-21)19-11-12-20(23-14-19)26(2)15-18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 95100369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).