N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C21H22N4O3 — CID 59374091

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-21(2,14-26)25-19(27)17-6-5-13-23-20(17)28-16-10-8-15(9-11-16)24-18-7-3-4-12-22-18/h3-13,26H,14H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyYNTNCDXHOHEBOO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.51
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374091) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374091
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-21(2,14-26)25-19(27)17-6-5-13-23-20(17)28-16-10-8-15(9-11-16)24-18-7-3-4-12-22-18/h3-13,26H,14H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyYNTNCDXHOHEBOO-UHFFFAOYSA-N
XLogP3.51
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16040289
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CID 16223106
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CID 89650975
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CID 89907349
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CID 9865577
CID 9865577
CID 9915752
CID 9915752
CID 10499343
CID 10499343
CID 10526964
CID 10526964
CID 10552132
CID 10552132
CID 10647341
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CID 10787790
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CID 89908140
CID 89908140

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374091) is N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC(C)(CO)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is YNTNCDXHOHEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(2,14-26)25-19(27)17-6-5-13-23-20(17)28-16-10-8-15(9-11-16)24-18-7-3-4-12-22-18/h3-13,26H,14H2,1-2H3,(H,22,24)(H,25,27).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).