N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C21H22N4O2 — CID 59374131

IUPACN-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O2/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/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyKXRMXTHGJCSVAW-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.40
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374131) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374131
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O2/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/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyKXRMXTHGJCSVAW-UHFFFAOYSA-N
XLogP4.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[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
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
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 68606892
N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
CID 67425437
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 N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374131) is N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is KXRMXTHGJCSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/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/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).