2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C16H20ClN5O — CID 95315279

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-20(15-6-5-13(17)9-18-15)11-16(23)22-7-3-4-14(22)12-8-19-21(2)10-12/h5-6,8-10,14H,3-4,7,11H2,1-2H3/t14-/m1/s1
InChIKeyPOHGQPOEYWYAJM-CQSZACIVSA-N
MW333.82 g/mol
LogP2.27
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95315279) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95315279
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-20(15-6-5-13(17)9-18-15)11-16(23)22-7-3-4-14(22)12-8-19-21(2)10-12/h5-6,8-10,14H,3-4,7,11H2,1-2H3/t14-/m1/s1
InChIKeyPOHGQPOEYWYAJM-CQSZACIVSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56819155
methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
CID 43623806
[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309232
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43589524
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569308
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
2-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95319617
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
CID 113375668
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679848
3-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359399

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95315279) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CN(CC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is POHGQPOEYWYAJM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-20(15-6-5-13(17)9-18-15)11-16(23)22-7-3-4-14(22)12-8-19-21(2)10-12/h5-6,8-10,14H,3-4,7,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 333.82 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95315279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).