N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

C17H25ClN4O3 — CID 54158525

IUPACN-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OC[C@H]2CCCN2)c(OC[C@H]2CCCN2)nc1Cl
InChIInChI=1S/C17H25ClN4O3/c1-11(23)21-14-8-15(24-9-12-4-2-6-19-12)17(22-16(14)18)25-10-13-5-3-7-20-13/h8,12-13,19-20H,2-7,9-10H2,1H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyOMTXILWFAOICCB-CHWSQXEVSA-N
MW368.87 g/mol
LogP1.96
Rot. Bonds7

About N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (PubChem CID 54158525) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
PubChem CID54158525
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(OC[C@H]2CCCN2)c(OC[C@H]2CCCN2)nc1Cl
InChIInChI=1S/C17H25ClN4O3/c1-11(23)21-14-8-15(24-9-12-4-2-6-19-12)17(22-16(14)18)25-10-13-5-3-7-20-13/h8,12-13,19-20H,2-7,9-10H2,1H3,(H,21,23)/t12-,13-/m1/s1
InChIKeyOMTXILWFAOICCB-CHWSQXEVSA-N
XLogP1.96
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
CID 69016004
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride
CID 66962076
3-chloro-4-methoxy-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 156847857
methyl 3-chloro-5-methoxy-4-(pyrrolidin-2-ylmethoxy)benzoate
CID 117053306
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62347787
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (CID 54158525) is N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is CC(=O)Nc1cc(OC[C@H]2CCCN2)c(OC[C@H]2CCCN2)nc1Cl.
What is the InChIKey of N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The InChIKey is OMTXILWFAOICCB-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-11(23)21-14-8-15(24-9-12-4-2-6-19-12)17(22-16(14)18)25-10-13-5-3-7-20-13/h8,12-13,19-20H,2-7,9-10H2,1H3,(H,21,23)/t12-,13-/m1/s1.
What are the key properties of N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide has a molecular weight of 368.87 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 54158525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).