5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine

C16H18ClN3O — CID 74242847

IUPAC5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
SMILESCOc1cc(-c2ccc(CN3CCCC3)cn2)c(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-21-16-8-13(14(17)10-19-16)15-5-4-12(9-18-15)11-20-6-2-3-7-20/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyJBTTWVWMPTZQAC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.40
Rot. Bonds4

About 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine

5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine (PubChem CID 74242847) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
PubChem CID74242847
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
SMILESCOc1cc(-c2ccc(CN3CCCC3)cn2)c(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-21-16-8-13(14(17)10-19-16)15-5-4-12(9-18-15)11-20-6-2-3-7-20/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyJBTTWVWMPTZQAC-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
CID 77095111
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
4-[2-fluoro-5-[4-(piperidin-1-ylmethyl)phenyl]-3-pyridinyl]-6-methoxypyridin-3-amine
CID 58266841
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
CID 170589062
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
CID 74247167
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 163391622
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine?
The IUPAC name of 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine (CID 74242847) is 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine is COc1cc(-c2ccc(CN3CCCC3)cn2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine?
The InChIKey is JBTTWVWMPTZQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-21-16-8-13(14(17)10-19-16)15-5-4-12(9-18-15)11-20-6-2-3-7-20/h4-5,8-10H,2-3,6-7,11H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine?
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine has a molecular weight of 303.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 74242847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).