4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

C16H20N4 — CID 105073052

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCN(Cc1ccncc1)c1cnccc1CNC1CC1
InChIInChI=1S/C16H20N4/c1-20(12-13-4-7-17-8-5-13)16-11-18-9-6-14(16)10-19-15-2-3-15/h4-9,11,15,19H,2-3,10,12H2,1H3
InChIKeyZZFVETACTBJYDN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.37
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (PubChem CID 105073052) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
PubChem CID105073052
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
SMILESCN(Cc1ccncc1)c1cnccc1CNC1CC1
InChIInChI=1S/C16H20N4/c1-20(12-13-4-7-17-8-5-13)16-11-18-9-6-14(16)10-19-15-2-3-15/h4-9,11,15,19H,2-3,10,12H2,1H3
InChIKeyZZFVETACTBJYDN-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
4-[(cyclopropylamino)methyl]-N-ethyl-N-(4-methylphenyl)pyridin-3-amine
CID 105073338
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 105074166
6-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284157
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine (CID 105073052) is 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is CN(Cc1ccncc1)c1cnccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
The InChIKey is ZZFVETACTBJYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(12-13-4-7-17-8-5-13)16-11-18-9-6-14(16)10-19-15-2-3-15/h4-9,11,15,19H,2-3,10,12H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).