(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine

C20H22N4O — CID 95900500

IUPAC(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine
SMILESCc1ccc([C@@H](c2ccccn2)N(C)Cc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)19(17-5-3-4-12-21-17)24(2)13-18-22-23-20(25-18)16-10-11-16/h3-9,12,16,19H,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyZDJPFKUAGMBLDX-IBGZPJMESA-N
MW334.42 g/mol
LogP3.87
Rot. Bonds6

About (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine

(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine (PubChem CID 95900500) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine
PubChem CID95900500
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine
SMILESCc1ccc([C@@H](c2ccccn2)N(C)Cc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)19(17-5-3-4-12-21-17)24(2)13-18-22-23-20(25-18)16-10-11-16/h3-9,12,16,19H,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyZDJPFKUAGMBLDX-IBGZPJMESA-N
XLogP3.87
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 75375178
N-methyl-1-phenyl-1-pyridin-2-yl-N-(pyridin-4-ylmethyl)methanamine
CID 84591336
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684
2-cyclopropyl-5-[(5-methyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 86842536
2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 71975143
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 47073273
2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
CID 111544022
(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97328803
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 71928239
3-[(1S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
CID 124752843

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine (CID 95900500) is (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine is Cc1ccc([C@@H](c2ccccn2)N(C)Cc2nnc(C3CC3)o2)cc1.
What is the InChIKey of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine?
The InChIKey is ZDJPFKUAGMBLDX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-6-8-15(9-7-14)19(17-5-3-4-12-21-17)24(2)13-18-22-23-20(25-18)16-10-11-16/h3-9,12,16,19H,10-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine?
(1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine has a molecular weight of 334.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(4-methylphenyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 95900500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).