N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

C12H16ClN3O2 — CID 54027066

IUPACN-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OC[C@H]2CCCN2)cnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyLCYCNAVSAFCVNU-SECBINFHSA-N
MW269.73 g/mol
LogP1.82
Rot. Bonds4

About N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (PubChem CID 54027066) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
PubChem CID54027066
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OC[C@H]2CCCN2)cnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyLCYCNAVSAFCVNU-SECBINFHSA-N
XLogP1.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54158525
N,2-dimethyl-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 23227060
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
2-chloro-3-ethynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459021
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide
CID 59371557
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (CID 54027066) is N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is CC(=O)Nc1cc(OC[C@H]2CCCN2)cnc1Cl.
What is the InChIKey of N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The InChIKey is LCYCNAVSAFCVNU-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(17)16-11-5-10(6-15-12(11)13)18-7-9-3-2-4-14-9/h5-6,9,14H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide has a molecular weight of 269.73 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 54027066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).