(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C18H26N4O — CID 124754653

IUPAC(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2noc(C3CCCC3)n2)c1
InChIInChI=1S/C18H26N4O/c1-13-8-9-19-16(10-13)11-14(2)22(3)12-17-20-18(23-21-17)15-6-4-5-7-15/h8-10,14-15H,4-7,11-12H2,1-3H3/t14-/m0/s1
InChIKeyONDQULIPWDGYFD-AWEZNQCLSA-N
MW314.43 g/mol
LogP3.49
Rot. Bonds6

About (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 124754653) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID124754653
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2noc(C3CCCC3)n2)c1
InChIInChI=1S/C18H26N4O/c1-13-8-9-19-16(10-13)11-14(2)22(3)12-17-20-18(23-21-17)15-6-4-5-7-15/h8-10,14-15H,4-7,11-12H2,1-3H3/t14-/m0/s1
InChIKeyONDQULIPWDGYFD-AWEZNQCLSA-N
XLogP3.49
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124749899
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124844642
(2R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 99943544
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46997844
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
CID 50960712
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
CID 53055789

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 124754653) is (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is Cc1ccnc(C[C@H](C)N(C)Cc2noc(C3CCCC3)n2)c1.
What is the InChIKey of (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is ONDQULIPWDGYFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-8-9-19-16(10-13)11-14(2)22(3)12-17-20-18(23-21-17)15-6-4-5-7-15/h8-10,14-15H,4-7,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 314.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 124754653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).