(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide

C11H14ClN3O — CID 128980942

IUPAC(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1C(N)=O
InChIInChI=1S/C11H14ClN3O/c1-7-5-15(6-9(7)11(13)16)10-3-2-8(12)4-14-10/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m1/s1
InChIKeyPMEKMIRCKIGIOK-VXNVDRBHSA-N
MW239.71 g/mol
LogP1.29
Rot. Bonds2

About (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 128980942) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID128980942
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1C(N)=O
InChIInChI=1S/C11H14ClN3O/c1-7-5-15(6-9(7)11(13)16)10-3-2-8(12)4-14-10/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m1/s1
InChIKeyPMEKMIRCKIGIOK-VXNVDRBHSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide (CID 128980942) is (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is PMEKMIRCKIGIOK-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7-5-15(6-9(7)11(13)16)10-3-2-8(12)4-14-10/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m1/s1.
What are the key properties of (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128980942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).