3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine

C12H12ClN3 — CID 79839877

IUPAC3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
SMILESCc1ccc(CNc2ccncc2Cl)cn1
InChIInChI=1S/C12H12ClN3/c1-9-2-3-10(6-15-9)7-16-12-4-5-14-8-11(12)13/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyMWDRLCZFGKGYTI-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.05
Rot. Bonds3

About 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine

3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine (PubChem CID 79839877) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
PubChem CID79839877
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
SMILESCc1ccc(CNc2ccncc2Cl)cn1
InChIInChI=1S/C12H12ClN3/c1-9-2-3-10(6-15-9)7-16-12-4-5-14-8-11(12)13/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyMWDRLCZFGKGYTI-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

2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine (CID 79839877) is 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine is Cc1ccc(CNc2ccncc2Cl)cn1.
What is the InChIKey of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is MWDRLCZFGKGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-2-3-10(6-15-9)7-16-12-4-5-14-8-11(12)13/h2-6,8H,7H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine?
3-chloro-N-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 79839877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).