5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine

C15H18ClN3O — CID 114925517

IUPAC5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCN(Cc1ccco1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-19(10-13-3-2-6-20-13)15-7-11(14(16)9-18-15)8-17-12-4-5-12/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3
InChIKeyPUFPHHBEBCAJNQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.22
Rot. Bonds6

About 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine

5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 114925517) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
PubChem CID114925517
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCN(Cc1ccco1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-19(10-13-3-2-6-20-13)15-7-11(14(16)9-18-15)8-17-12-4-5-12/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3
InChIKeyPUFPHHBEBCAJNQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114927604
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926757
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114926419
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
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine (CID 114925517) is 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine is CN(Cc1ccco1)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is PUFPHHBEBCAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19(10-13-3-2-6-20-13)15-7-11(14(16)9-18-15)8-17-12-4-5-12/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3.
What are the key properties of 5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine?
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.22, 6 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-(furan-2-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114925517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).