[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine

C13H20ClN3 — CID 114927096

IUPAC[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCC(C)C1CCN(c2cc(CN)c(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3/c1-9(2)10-3-4-17(8-10)13-5-11(6-15)12(14)7-16-13/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyFSTMXMAVTASRPT-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.68
Rot. Bonds3

About [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine

[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 114927096) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
PubChem CID114927096
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCC(C)C1CCN(c2cc(CN)c(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3/c1-9(2)10-3-4-17(8-10)13-5-11(6-15)12(14)7-16-13/h5,7,9-10H,3-4,6,8,15H2,1-2H3
InChIKeyFSTMXMAVTASRPT-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 114926672
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114926413
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-4-pyridinyl]methanamine
CID 114926380
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
CID 113417506
4-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170397345
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380838

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine (CID 114927096) is [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine is CC(C)C1CCN(c2cc(CN)c(Cl)cn2)C1.
What is the InChIKey of [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is FSTMXMAVTASRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)10-3-4-17(8-10)13-5-11(6-15)12(14)7-16-13/h5,7,9-10H,3-4,6,8,15H2,1-2H3.
What are the key properties of [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 253.78 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 114927096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).