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

C14H21ClN4O — CID 114926413

IUPAC[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESNCc1cc(N2CCC(N3CCOCC3)C2)ncc1Cl
InChIInChI=1S/C14H21ClN4O/c15-13-9-17-14(7-11(13)8-16)19-2-1-12(10-19)18-3-5-20-6-4-18/h7,9,12H,1-6,8,10,16H2
InChIKeyXIBCNFZVYJMUIL-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.10
Rot. Bonds3

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

[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 114926413) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
PubChem CID114926413
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESNCc1cc(N2CCC(N3CCOCC3)C2)ncc1Cl
InChIInChI=1S/C14H21ClN4O/c15-13-9-17-14(7-11(13)8-16)19-2-1-12(10-19)18-3-5-20-6-4-18/h7,9,12H,1-6,8,10,16H2
InChIKeyXIBCNFZVYJMUIL-UHFFFAOYSA-N
XLogP1.10
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
[5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 114926672
5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652914
4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
CID 79026019
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine (CID 114926413) is [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine is NCc1cc(N2CCC(N3CCOCC3)C2)ncc1Cl.
What is the InChIKey of [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is XIBCNFZVYJMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-13-9-17-14(7-11(13)8-16)19-2-1-12(10-19)18-3-5-20-6-4-18/h7,9,12H,1-6,8,10,16H2.
What are the key properties of [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine?
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 296.80 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 114926413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).