2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide

C21H19ClN4O2 — CID 166004531

IUPAC2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C21H19ClN4O2/c22-18-7-4-9-24-21(18)28-16-8-10-26(13-16)20-17(19(23)27)11-15(12-25-20)14-5-2-1-3-6-14/h1-7,9,11-12,16H,8,10,13H2,(H2,23,27)/t16-/m1/s1
InChIKeySQFIQSMTLYYZEB-MRXNPFEDSA-N
MW394.86 g/mol
LogP3.55
Rot. Bonds5

About 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide

2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide (PubChem CID 166004531) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide
PubChem CID166004531
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C21H19ClN4O2/c22-18-7-4-9-24-21(18)28-16-8-10-26(13-16)20-17(19(23)27)11-15(12-25-20)14-5-2-1-3-6-14/h1-7,9,11-12,16H,8,10,13H2,(H2,23,27)/t16-/m1/s1
InChIKeySQFIQSMTLYYZEB-MRXNPFEDSA-N
XLogP3.55
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxybenzamide
CID 156814477
5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
CID 166004473
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
3-chloro-2-[(3S)-1-[4-(2-chlorophenyl)-2-isocyanophenyl]pyrrolidin-3-yl]oxypyridine
CID 166004349
(2-chlorophenyl)-[3-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-(2-hydroxyethyl)phenyl]methanone
CID 156815577
2-chloro-6-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-phenylbenzonitrile
CID 175576206
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 122248013
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(4-fluorobenzoyl)benzaldehyde
CID 156815130
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 71145261
methyl 4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)benzoate
CID 156814660
5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 67958118

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide (CID 166004531) is 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide is NC(=O)c1cc(-c2ccccc2)cnc1N1CC[C@@H](Oc2ncccc2Cl)C1.
What is the InChIKey of 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide?
The InChIKey is SQFIQSMTLYYZEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-18-7-4-9-24-21(18)28-16-8-10-26(13-16)20-17(19(23)27)11-15(12-25-20)14-5-2-1-3-6-14/h1-7,9,11-12,16H,8,10,13H2,(H2,23,27)/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide?
2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 166004531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).