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

C20H21N5O3 — CID 59374193

IUPACN-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H21N5O3/c1-14(13-27-2)24-19(26)18-20(23-12-11-22-18)28-16-8-6-15(7-9-16)25-17-5-3-4-10-21-17/h3-12,14H,13H2,1-2H3,(H,21,25)(H,24,26)/t14-/m0/s1
InChIKeyQPUMYEPHCVMCRU-AWEZNQCLSA-N
MW379.42 g/mol
LogP3.17
Rot. Bonds8

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

N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide (PubChem CID 59374193) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
PubChem CID59374193
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H21N5O3/c1-14(13-27-2)24-19(26)18-20(23-12-11-22-18)28-16-8-6-15(7-9-16)25-17-5-3-4-10-21-17/h3-12,14H,13H2,1-2H3,(H,21,25)(H,24,26)/t14-/m0/s1
InChIKeyQPUMYEPHCVMCRU-AWEZNQCLSA-N
XLogP3.17
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873207
3-amino-N-[3-(4-amino-3-methoxypiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873273
3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873314
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
N-[[2-[4-amino-6-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]pyrimidin-5-yl]-1,3-oxazol-4-yl]methyl]prop-2-enamide
CID 53357502
N-[[2-[4-amino-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-5-yl]-1,3-oxazol-4-yl]methyl]prop-2-enamide
CID 53357765
N-[4-[[3-(4-Morpholinyl)-2-pyrazinyl]oxy]phenyl]-2-pyridinamine
CID 59373996
2-Methyl-1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 59374138
3-[4-(4-Methylpiperazin-1-yl)anilino]-5-[3-(prop-2-enoylamino)phenoxy]pyrazine-2-carboxamide
CID 71667665
3-amino-N-[3-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873266

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide (CID 59374193) is N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide is COC[C@H](C)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The InChIKey is QPUMYEPHCVMCRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14(13-27-2)24-19(26)18-20(23-12-11-22-18)28-16-8-6-15(7-9-16)25-17-5-3-4-10-21-17/h3-12,14H,13H2,1-2H3,(H,21,25)(H,24,26)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 59374193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).