2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone

C57H51N9O7 — CID 158403273

IUPAC2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.CC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.O=C(O)c1cccnc1Oc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2.C18H15N3O2.C18H14N2O3/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19;1-13(22)16-5-4-12-20-18(16)23-15-9-7-14(8-10-15)21-17-6-2-3-11-19-17;21-18(22)16-7-4-12-19-17(16)23-15-10-8-14(9-11-15)20-13-5-2-1-3-6-13/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26);2-12H,1H3,(H,19,21);1-12,20H,(H,21,22)
InChIKeyGYJDORFZSWXRQH-UHFFFAOYSA-N
MW974.09 g/mol
LogP12.93
Rot. Bonds17

About 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone

2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone (PubChem CID 158403273) has the molecular formula C57H51N9O7 and a molecular weight of 974.09 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone
PubChem CID158403273
Molecular FormulaC57H51N9O7
Molecular Weight974.09 g/mol
Exact Mass973.39
IUPAC Name2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.CC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.O=C(O)c1cccnc1Oc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H22N4O2.C18H15N3O2.C18H14N2O3/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19;1-13(22)16-5-4-12-20-18(16)23-15-9-7-14(8-10-15)21-17-6-2-3-11-19-17;21-18(22)16-7-4-12-19-17(16)23-15-10-8-14(9-11-15)20-13-5-2-1-3-6-13/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26);2-12H,1H3,(H,19,21);1-12,20H,(H,21,22)
InChIKeyGYJDORFZSWXRQH-UHFFFAOYSA-N
XLogP12.93
TPSA211.70 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.09
LogP ≤ 512.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone with MolForge

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Related Compounds

N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131
N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 70875279
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 68606892
2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide
CID 70875244
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374044
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]but-3-yn-2-ol
CID 67425972

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone?
The IUPAC name of 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone (CID 158403273) is 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone?
The canonical SMILES for 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone is CC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.CC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.O=C(O)c1cccnc1Oc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone?
The InChIKey is GYJDORFZSWXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C18H15N3O2.C18H14N2O3/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19;1-13(22)16-5-4-12-20-18(16)23-15-9-7-14(8-10-15)21-17-6-2-3-11-19-17;21-18(22)16-7-4-12-19-17(16)23-15-10-8-14(9-11-15)20-13-5-2-1-3-6-13/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26);2-12H,1H3,(H,19,21);1-12,20H,(H,21,22).
What are the key properties of 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone?
2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone has a molecular weight of 974.09 g/mol, XLogP of 12.93, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 158403273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).