3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal

C21H25N3O — CID 142989606

IUPAC3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal
SMILESCc1cccnc1NC1CCN(C)CC1.O=CC#Cc1ccccc1
InChIInChI=1S/C12H19N3.C9H6O/c1-10-4-3-7-13-12(10)14-11-5-8-15(2)9-6-11;10-8-4-7-9-5-2-1-3-6-9/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,13,14);1-3,5-6,8H
InChIKeyNGMYDUSRGWVSHF-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.13
Rot. Bonds2

About 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal

3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal (PubChem CID 142989606) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal.

Molecular Properties

Compound Name3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal
PubChem CID142989606
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal
SMILESCc1cccnc1NC1CCN(C)CC1.O=CC#Cc1ccccc1
InChIInChI=1S/C12H19N3.C9H6O/c1-10-4-3-7-13-12(10)14-11-5-8-15(2)9-6-11;10-8-4-7-9-5-2-1-3-6-9/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,13,14);1-3,5-6,8H
InChIKeyNGMYDUSRGWVSHF-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252990
N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
CID 64744055
3-N-(3-methyl-2-pyridinyl)cyclopentane-1,3-diamine
CID 130964368
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
3-methyl-N-(1-methylpiperidin-4-yl)-6-[(1S)-1-phenylethyl]-1,2,4-triazin-5-amine
CID 156875201
N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65071582
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
CID 66367770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal?
The IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal (CID 142989606) is 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal.
What is the SMILES notation for 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal?
The canonical SMILES for 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal is Cc1cccnc1NC1CCN(C)CC1.O=CC#Cc1ccccc1.
What is the InChIKey of 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal?
The InChIKey is NGMYDUSRGWVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C9H6O/c1-10-4-3-7-13-12(10)14-11-5-8-15(2)9-6-11;10-8-4-7-9-5-2-1-3-6-9/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,13,14);1-3,5-6,8H.
What are the key properties of 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal?
3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal has a molecular weight of 335.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine;3-phenylprop-2-ynal is sourced from PubChem (CID 142989606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).