6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

C22H22N4O3 — CID 118043277

IUPAC6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CC[C@H](N)C2)nc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c23-15-12-13-26(14-15)20-11-10-19(21(24)27)22(25-20)29-18-8-6-17(7-9-18)28-16-4-2-1-3-5-16/h1-11,15H,12-14,23H2,(H2,24,27)/t15-/m0/s1
InChIKeyWHMDPKCHMPFQLL-HNNXBMFYSA-N
MW390.44 g/mol
LogP3.30
Rot. Bonds6

About 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (PubChem CID 118043277) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
PubChem CID118043277
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CC[C@H](N)C2)nc1Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c23-15-12-13-26(14-15)20-11-10-19(21(24)27)22(25-20)29-18-8-6-17(7-9-18)28-16-4-2-1-3-5-16/h1-11,15H,12-14,23H2,(H2,24,27)/t15-/m0/s1
InChIKeyWHMDPKCHMPFQLL-HNNXBMFYSA-N
XLogP3.30
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(3-methylbut-2-enoyl)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043181
tert-butyl N-[(3S)-1-[5-carbamoyl-6-(4-phenoxyphenoxy)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 118043280
(4-nitrophenyl) 4-[5-carbamoyl-6-(4-phenoxyphenoxy)-2-pyridinyl]piperazine-1-carboxylate
CID 118038069
2-(4-phenoxyphenoxy)-6-[(1S)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyridine-3-carboxamide
CID 138722523
(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
CID 51663674
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
6-[(1R)-5-[(E)-2-cyano-3-cyclopropylprop-2-enoyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 122534313
4-(4-aminopiperidin-1-yl)-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208529
6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
CID 142991898
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 146879106
6-(4-but-2-ynoylpiperazin-1-yl)-2-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 145372173

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (CID 118043277) is 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is NC(=O)c1ccc(N2CC[C@H](N)C2)nc1Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is WHMDPKCHMPFQLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4O3/c23-15-12-13-26(14-15)20-11-10-19(21(24)27)22(25-20)29-18-8-6-17(7-9-18)28-16-4-2-1-3-5-16/h1-11,15H,12-14,23H2,(H2,24,27)/t15-/m0/s1.
What are the key properties of 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 118043277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).