[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone

C11H14ClN3O — CID 81482675

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESNCC1CCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-3-9(10)11(16)15-5-1-2-8(15)6-13/h3-4,7-8H,1-2,5-6,13H2
InChIKeyVUXAKADFMJYFCH-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.30
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 81482675) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID81482675
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESNCC1CCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-3-9(10)11(16)15-5-1-2-8(15)6-13/h3-4,7-8H,1-2,5-6,13H2
InChIKeyVUXAKADFMJYFCH-UHFFFAOYSA-N
XLogP1.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66472291
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119632203
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66482590
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 81482675) is [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone is NCC1CCCN1C(=O)c1ccncc1Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is VUXAKADFMJYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-7-14-4-3-9(10)11(16)15-5-1-2-8(15)6-13/h3-4,7-8H,1-2,5-6,13H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 239.71 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 81482675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).