N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide

C25H23N5O3 — CID 135464358

IUPACN-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(N[C@H](C)c3ccc(NC(=O)c4cccnc4)cc3)n2)ccc1O
InChIInChI=1S/C25H23N5O3/c1-16(17-5-8-20(9-6-17)29-25(32)19-4-3-11-26-13-19)28-24-15-27-14-21(30-24)18-7-10-22(31)23(12-18)33-2/h3-16,31H,1-2H3,(H,28,30)(H,29,32)/t16-/m1/s1
InChIKeyKYJCHFZUZIIGFM-MRXNPFEDSA-N
MW441.49 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide

N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 135464358) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
PubChem CID135464358
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(N[C@H](C)c3ccc(NC(=O)c4cccnc4)cc3)n2)ccc1O
InChIInChI=1S/C25H23N5O3/c1-16(17-5-8-20(9-6-17)29-25(32)19-4-3-11-26-13-19)28-24-15-27-14-21(30-24)18-7-10-22(31)23(12-18)33-2/h3-16,31H,1-2H3,(H,28,30)(H,29,32)/t16-/m1/s1
InChIKeyKYJCHFZUZIIGFM-MRXNPFEDSA-N
XLogP4.68
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
CID 135525328
methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
bis(4-[6-[1-(4-aminophenyl)ethylamino]pyrazin-2-yl]-2-methoxyphenol);tert-butyl 2-[[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate;N-[3-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]acetamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-4-carboxamide;2-methoxy-4-[6-[1-[4-[2-(4-methylpiperazin-1-yl)ethylamino]phenyl]ethylamino]pyrazin-2-yl]phenol
CID 158961775
N-[3-[(1S)-1-[[6-[4-(hydroxyamino)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 136948358
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
3-[(2-chloroacetyl)amino]-N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
CID 158405433
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[3-[(1S)-1-[[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 137017531
N-(cyclopropylmethyl)-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[6-[1-[4-[2-(diethylamino)ethoxy]phenyl]ethylamino]pyrazin-2-yl]-2-methoxyphenol;N-[2-(dimethylamino)ethyl]-4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzamide;4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]benzoic acid;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-4-methylpiperazine-1-carboxamide;N-[4-[1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;2-methoxy-4-[6-[1-[4-(pyridin-3-ylmethylamino)phenyl]ethylamino]pyrazin-2-yl]phenol
CID 158675691
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide (CID 135464358) is N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide is COc1cc(-c2cncc(N[C@H](C)c3ccc(NC(=O)c4cccnc4)cc3)n2)ccc1O.
What is the InChIKey of N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KYJCHFZUZIIGFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16(17-5-8-20(9-6-17)29-25(32)19-4-3-11-26-13-19)28-24-15-27-14-21(30-24)18-7-10-22(31)23(12-18)33-2/h3-16,31H,1-2H3,(H,28,30)(H,29,32)/t16-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide?
N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).