N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H20Cl3N3O2 — CID 119847003

IUPACN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)C1CCCN1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-14-9-13(21-17(22)15-4-2-8-20-15)5-6-16(14)23-11-12-3-1-7-19-10-12;;/h1,3,5-7,9-10,15,20H,2,4,8,11H2,(H,21,22);2*1H
InChIKeyXIDPMHVZQRXPDY-UHFFFAOYSA-N
MW404.73 g/mol
LogP3.85
Rot. Bonds5

About N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119847003) has the molecular formula C17H20Cl3N3O2 and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119847003
Molecular FormulaC17H20Cl3N3O2
Molecular Weight404.73 g/mol
Exact Mass403.06
IUPAC NameN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)C1CCCN1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-14-9-13(21-17(22)15-4-2-8-20-15)5-6-16(14)23-11-12-3-1-7-19-10-12;;/h1,3,5-7,9-10,15,20H,2,4,8,11H2,(H,21,22);2*1H
InChIKeyXIDPMHVZQRXPDY-UHFFFAOYSA-N
XLogP3.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846962
(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
CID 124605952
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845818
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
(2S)-N-[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-6-yl]pyrrolidine-2-carboxamide
CID 11569390

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119847003) is N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)C1CCCN1.
What is the InChIKey of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is XIDPMHVZQRXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.2ClH/c18-14-9-13(21-17(22)15-4-2-8-20-15)5-6-16(14)23-11-12-3-1-7-19-10-12;;/h1,3,5-7,9-10,15,20H,2,4,8,11H2,(H,21,22);2*1H.
What are the key properties of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 404.73 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).