(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

C11H14ClN3O2 — CID 128978229

IUPAC(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1
InChIKeyMAHVNAQRTUZZGK-CBAPKCEASA-N
MW255.71 g/mol
LogP0.81
Rot. Bonds3

About (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128978229) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128978229
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1
InChIKeyMAHVNAQRTUZZGK-CBAPKCEASA-N
XLogP0.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (CID 128978229) is (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Cl)C1.
What is the InChIKey of (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is MAHVNAQRTUZZGK-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128978229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).