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

C12H12ClN3 — CID 114700905

IUPAC3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
SMILESCc1cnccc1CNc1ccncc1Cl
InChIInChI=1S/C12H12ClN3/c1-9-6-14-4-2-10(9)7-16-12-3-5-15-8-11(12)13/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyYVDKZLUFXFOGRC-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.05
Rot. Bonds3

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

3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine (PubChem CID 114700905) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
PubChem CID114700905
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
SMILESCc1cnccc1CNc1ccncc1Cl
InChIInChI=1S/C12H12ClN3/c1-9-6-14-4-2-10(9)7-16-12-3-5-15-8-11(12)13/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyYVDKZLUFXFOGRC-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760160
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
CID 79839873
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine (CID 114700905) is 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine is Cc1cnccc1CNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is YVDKZLUFXFOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-6-14-4-2-10(9)7-16-12-3-5-15-8-11(12)13/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine?
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 114700905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).