N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine

C14H16ClN3 — CID 77080069

IUPACN-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCC(c1cccnc1)N(C)Cc1ccncc1Cl
InChIInChI=1S/C14H16ClN3/c1-11(12-4-3-6-16-8-12)18(2)10-13-5-7-17-9-14(13)15/h3-9,11H,10H2,1-2H3
InChIKeyZAKSZUQRJHHKCY-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.32
Rot. Bonds4

About N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine

N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 77080069) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID77080069
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCC(c1cccnc1)N(C)Cc1ccncc1Cl
InChIInChI=1S/C14H16ClN3/c1-11(12-4-3-6-16-8-12)18(2)10-13-5-7-17-9-14(13)15/h3-9,11H,10H2,1-2H3
InChIKeyZAKSZUQRJHHKCY-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99948670
methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
CID 97328786
N-(2-bromoethyl)-N-[(3-chloro-4-pyridinyl)methyl]propan-2-amine
CID 80671408
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 56760298
N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 71933334
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 71989008
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 77080069) is N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine is CC(c1cccnc1)N(C)Cc1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is ZAKSZUQRJHHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-11(12-4-3-6-16-8-12)18(2)10-13-5-7-17-9-14(13)15/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 261.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 77080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).