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

C21H22N4O3 — CID 59374034

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(14-27-2)24-20(26)18-6-5-13-23-21(18)28-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26)/t15-/m0/s1
InChIKeyIZAYCIDACVJIOQ-HNNXBMFYSA-N
MW378.43 g/mol
LogP3.78
Rot. Bonds8

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

N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374034) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374034
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(14-27-2)24-20(26)18-6-5-13-23-21(18)28-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26)/t15-/m0/s1
InChIKeyIZAYCIDACVJIOQ-HNNXBMFYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374034) is N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is COC[C@H](C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is IZAYCIDACVJIOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(14-27-2)24-20(26)18-6-5-13-23-21(18)28-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13,15H,14H2,1-2H3,(H,22,25)(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).