5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

C16H27ClN4 — CID 79310791

IUPAC5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(C)CC2CCCN2C)ccc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-9-18-11-15-14(17)7-8-16(19-15)21(3)12-13-6-5-10-20(13)2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyGWVPSKVQJNPEHR-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds7

About 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 79310791) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
PubChem CID79310791
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(C)CC2CCCN2C)ccc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-9-18-11-15-14(17)7-8-16(19-15)21(3)12-13-6-5-10-20(13)2/h7-8,13,18H,4-6,9-12H2,1-3H3
InChIKeyGWVPSKVQJNPEHR-UHFFFAOYSA-N
XLogP2.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 63024811
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80848440
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 79310953
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79312899
5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
CID 63490142
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 79310788
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (CID 79310791) is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is CCCNCc1nc(N(C)CC2CCCN2C)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GWVPSKVQJNPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-9-18-11-15-14(17)7-8-16(19-15)21(3)12-13-6-5-10-20(13)2/h7-8,13,18H,4-6,9-12H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 310.87 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 79310791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).