2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide

C17H17Cl2N3O2 — CID 119514700

IUPAC2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c18-11-5-6-15(14(19)9-11)24-17-13(4-2-8-21-17)16(23)22-10-12-3-1-7-20-12/h2,4-6,8-9,12,20H,1,3,7,10H2,(H,22,23)
InChIKeyLBCDURMECPYDFI-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.66
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide

2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 119514700) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID119514700
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c18-11-5-6-15(14(19)9-11)24-17-13(4-2-8-21-17)16(23)22-10-12-3-1-7-20-12/h2,4-6,8-9,12,20H,1,3,7,10H2,(H,22,23)
InChIKeyLBCDURMECPYDFI-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120659391

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide (CID 119514700) is 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCN1)c1cccnc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LBCDURMECPYDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-11-5-6-15(14(19)9-11)24-17-13(4-2-8-21-17)16(23)22-10-12-3-1-7-20-12/h2,4-6,8-9,12,20H,1,3,7,10H2,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119514700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).