2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine

C12H18ClN3 — CID 102824295

IUPAC2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
SMILESCN(CC1CCCN1C)c1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)10-5-6-14-12(13)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDIFBICNSXOAGSS-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine

2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine (PubChem CID 102824295) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
PubChem CID102824295
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
SMILESCN(CC1CCCN1C)c1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)10-5-6-14-12(13)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDIFBICNSXOAGSS-UHFFFAOYSA-N
XLogP2.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
CID 79314423
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56896146
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine (CID 102824295) is 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine is CN(CC1CCCN1C)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine?
The InChIKey is DIFBICNSXOAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)10-5-6-14-12(13)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine?
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 102824295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).