2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

C17H17Cl2N3O2 — CID 133362039

IUPAC2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N3O2/c1-20-17(23)13-3-2-7-21-16(13)22-8-6-12(10-22)24-11-4-5-14(18)15(19)9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,20,23)
InChIKeyBPLDMSIUEFVKHR-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.41
Rot. Bonds4

About 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide

2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 133362039) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID133362039
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N3O2/c1-20-17(23)13-3-2-7-21-16(13)22-8-6-12(10-22)24-11-4-5-14(18)15(19)9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,20,23)
InChIKeyBPLDMSIUEFVKHR-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
methyl 2-[4-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133362047
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
N-methyl-2-[(3R)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129488885
3-[[4-[3-(3,4-dichlorophenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 53372207
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
CID 75374187
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide (CID 133362039) is 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is BPLDMSIUEFVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-20-17(23)13-3-2-7-21-16(13)22-8-6-12(10-22)24-11-4-5-14(18)15(19)9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H,20,23).
What are the key properties of 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133362039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).