[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol

C13H20ClN3O — CID 55172012

IUPAC[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
SMILESCN1CCC(CN(C)c2ncc(CO)cc2Cl)C1
InChIInChI=1S/C13H20ClN3O/c1-16-4-3-10(7-16)8-17(2)13-12(14)5-11(9-18)6-15-13/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyTTYMXLHDRZAQLR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.62
Rot. Bonds4

About [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol

[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol (PubChem CID 55172012) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
PubChem CID55172012
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
SMILESCN1CCC(CN(C)c2ncc(CO)cc2Cl)C1
InChIInChI=1S/C13H20ClN3O/c1-16-4-3-10(7-16)8-17(2)13-12(14)5-11(9-18)6-15-13/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyTTYMXLHDRZAQLR-UHFFFAOYSA-N
XLogP1.62
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63273907
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014
5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80634857
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398
5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62282283
[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 61254991
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
CID 55005290
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol (CID 55172012) is [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol is CN1CCC(CN(C)c2ncc(CO)cc2Cl)C1.
What is the InChIKey of [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol?
The InChIKey is TTYMXLHDRZAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16-4-3-10(7-16)8-17(2)13-12(14)5-11(9-18)6-15-13/h5-6,10,18H,3-4,7-9H2,1-2H3.
What are the key properties of [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol?
[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol has a molecular weight of 269.78 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 55172012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).