N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C14H17ClN4 — CID 114927421

IUPACN-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2cc(CNC3CC3)c(Cl)cn2)c1C
InChIInChI=1S/C14H17ClN4/c1-9-10(2)19(8-18-9)14-5-11(13(15)7-17-14)6-16-12-3-4-12/h5,7-8,12,16H,3-4,6H2,1-2H3
InChIKeyVEIDRKAUNXAWCU-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.79
Rot. Bonds4

About N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114927421) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114927421
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ncn(-c2cc(CNC3CC3)c(Cl)cn2)c1C
InChIInChI=1S/C14H17ClN4/c1-9-10(2)19(8-18-9)14-5-11(13(15)7-17-14)6-16-12-3-4-12/h5,7-8,12,16H,3-4,6H2,1-2H3
InChIKeyVEIDRKAUNXAWCU-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 114921158
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927436
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
N-[[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927491

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 114927421) is N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is Cc1ncn(-c2cc(CNC3CC3)c(Cl)cn2)c1C.
What is the InChIKey of N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VEIDRKAUNXAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-10(2)19(8-18-9)14-5-11(13(15)7-17-14)6-16-12-3-4-12/h5,7-8,12,16H,3-4,6H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 276.77 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114927421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).