methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

C22H29N3O2 — CID 158312980

IUPACmethane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESC.O=C(Nc1cccc(-c2cccnc2)c1)C1CNCC1C1CCOCC1
InChIInChI=1S/C21H25N3O2.CH4/c25-21(20-14-23-13-19(20)15-6-9-26-10-7-15)24-18-5-1-3-16(11-18)17-4-2-8-22-12-17;/h1-5,8,11-12,15,19-20,23H,6-7,9-10,13-14H2,(H,24,25);1H4
InChIKeyGNXCFJMEZUQEKL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.59
Rot. Bonds4

About methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 158312980) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Namemethane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID158312980
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namemethane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESC.O=C(Nc1cccc(-c2cccnc2)c1)C1CNCC1C1CCOCC1
InChIInChI=1S/C21H25N3O2.CH4/c25-21(20-14-23-13-19(20)15-6-9-26-10-7-15)24-18-5-1-3-16(11-18)17-4-2-8-22-12-17;/h1-5,8,11-12,15,19-20,23H,6-7,9-10,13-14H2,(H,24,25);1H4
InChIKeyGNXCFJMEZUQEKL-UHFFFAOYSA-N
XLogP3.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-(oxan-4-yl)-4-[(3-pyridin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 166790324
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839330
(3S,4R)-N-[3-(oxan-4-yloxy)phenyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 161099251
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
4-cyclohexa-1,5-dien-1-yl-N-(3-pyridin-3-yloxyphenyl)pyrrolidine-3-carboxamide
CID 159751793
6-(hydroxymethyl)-N-(3-pyridin-3-ylphenyl)-1,4-oxazepane-4-carboxamide
CID 72918711
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 166790335

Frequently Asked Questions

What is the IUPAC name of methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (CID 158312980) is methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is C.O=C(Nc1cccc(-c2cccnc2)c1)C1CNCC1C1CCOCC1.
What is the InChIKey of methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GNXCFJMEZUQEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.CH4/c25-21(20-14-23-13-19(20)15-6-9-26-10-7-15)24-18-5-1-3-16(11-18)17-4-2-8-22-12-17;/h1-5,8,11-12,15,19-20,23H,6-7,9-10,13-14H2,(H,24,25);1H4.
What are the key properties of methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 158312980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).