[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol

C13H19ClN2O — CID 114920404

IUPAC[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
SMILESCN(CC1CCCC1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C13H19ClN2O/c1-16(8-10-4-2-3-5-10)13-6-11(9-17)12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyUJSBCZWBSSSVLI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.85
Rot. Bonds4

About [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol

[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol (PubChem CID 114920404) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
PubChem CID114920404
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
SMILESCN(CC1CCCC1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C13H19ClN2O/c1-16(8-10-4-2-3-5-10)13-6-11(9-17)12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyUJSBCZWBSSSVLI-UHFFFAOYSA-N
XLogP2.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926513
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
[2-[cyclohexylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 54949087
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
[6-[cyclobutylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 62861713
2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176906
[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
CID 54949040

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol (CID 114920404) is [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol is CN(CC1CCCC1)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol?
The InChIKey is UJSBCZWBSSSVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(8-10-4-2-3-5-10)13-6-11(9-17)12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3.
What are the key properties of [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol?
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).