5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C16H25ClN4 — CID 114926419

IUPAC5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCCC1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H25ClN4/c1-20(8-9-21-6-2-3-7-21)16-10-13(15(17)12-19-16)11-18-14-4-5-14/h10,12,14,18H,2-9,11H2,1H3
InChIKeyKFDJUFLDBOVWTM-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.52
Rot. Bonds7

About 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 114926419) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID114926419
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCCC1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H25ClN4/c1-20(8-9-21-6-2-3-7-21)16-10-13(15(17)12-19-16)11-18-14-4-5-14/h10,12,14,18H,2-9,11H2,1H3
InChIKeyKFDJUFLDBOVWTM-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926757
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 114926024
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 114926419) is 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is CN(CCN1CCCC1)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is KFDJUFLDBOVWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-20(8-9-21-6-2-3-7-21)16-10-13(15(17)12-19-16)11-18-14-4-5-14/h10,12,14,18H,2-9,11H2,1H3.
What are the key properties of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 308.86 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 114926419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).