(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C17H19N3O2 — CID 100663215

IUPAC(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2)ccc1Oc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-12-10-13(20-17(21)15-5-3-9-19-15)6-7-16(12)22-14-4-2-8-18-11-14/h2,4,6-8,10-11,15,19H,3,5,9H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyAPWWVTDIEBFUDT-HNNXBMFYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds4

About (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 100663215) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID100663215
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2)ccc1Oc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-12-10-13(20-17(21)15-5-3-9-19-15)6-7-16(12)22-14-4-2-8-18-11-14/h2,4,6-8,10-11,15,19H,3,5,9H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyAPWWVTDIEBFUDT-HNNXBMFYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-pyridin-3-yloxyphenyl)morpholine-3-carboxamide;dihydrochloride
CID 119864469
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845818
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 97003815
5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119864468
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119328337
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 100663215) is (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2)ccc1Oc1cccnc1.
What is the InChIKey of (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is APWWVTDIEBFUDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-10-13(20-17(21)15-5-3-9-19-15)6-7-16(12)22-14-4-2-8-18-11-14/h2,4,6-8,10-11,15,19H,3,5,9H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100663215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).