N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C18H18ClN3O2 — CID 126788564

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1OCC2)N1CCCC1c1ccncc1
InChIInChI=1S/C18H18ClN3O2/c19-14-10-13-5-9-24-17(13)15(11-14)21-18(23)22-8-1-2-16(22)12-3-6-20-7-4-12/h3-4,6-7,10-11,16H,1-2,5,8-9H2,(H,21,23)
InChIKeyNTGPEMPTQUEPAT-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.04
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 126788564) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID126788564
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1OCC2)N1CCCC1c1ccncc1
InChIInChI=1S/C18H18ClN3O2/c19-14-10-13-5-9-24-17(13)15(11-14)21-18(23)22-8-1-2-16(22)12-3-6-20-7-4-12/h3-4,6-7,10-11,16H,1-2,5,8-9H2,(H,21,23)
InChIKeyNTGPEMPTQUEPAT-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124568548
(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide
CID 99638534
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 51116489
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 166209944
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 126788564) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1cc(Cl)cc2c1OCC2)N1CCCC1c1ccncc1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is NTGPEMPTQUEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-10-13-5-9-24-17(13)15(11-14)21-18(23)22-8-1-2-16(22)12-3-6-20-7-4-12/h3-4,6-7,10-11,16H,1-2,5,8-9H2,(H,21,23).
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126788564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).