4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine

C10H11ClN4 — CID 83166533

IUPAC4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cncc1CNc1cnccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-7-13-4-8(15)5-14-10-6-12-3-2-9(10)11/h2-4,6-7,14H,5H2,1H3
InChIKeyGPCDXRGPRZAXGA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.08
Rot. Bonds3

About 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine

4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine (PubChem CID 83166533) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine
PubChem CID83166533
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cncc1CNc1cnccc1Cl
InChIInChI=1S/C10H11ClN4/c1-15-7-13-4-8(15)5-14-10-6-12-3-2-9(10)11/h2-4,6-7,14H,5H2,1H3
InChIKeyGPCDXRGPRZAXGA-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
4-chloro-3-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66118526
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
CID 83164197
3-chloro-4-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66118692
2-chloro-1-N,1-N-dimethyl-4-N-[(3-methylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66118351
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66117075
3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117863
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine (CID 83166533) is 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine is Cn1cncc1CNc1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is GPCDXRGPRZAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-15-7-13-4-8(15)5-14-10-6-12-3-2-9(10)11/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine?
4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 222.68 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 83166533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).