5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid

C15H18N4O3 — CID 122054676

IUPAC5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)Oc1cccc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)22-13-6-4-5-10(19-13)7-17-12-9-16-11(8-18-12)14(20)21/h4-6,8-9H,7H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyFUGUOPFTJBZPKJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.36
Rot. Bonds5

About 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid

5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054676) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122054676
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)Oc1cccc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)22-13-6-4-5-10(19-13)7-17-12-9-16-11(8-18-12)14(20)21/h4-6,8-9H,7H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyFUGUOPFTJBZPKJ-UHFFFAOYSA-N
XLogP2.36
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62290561
5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056848
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
5-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122053124
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea
CID 75396921

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid (CID 122054676) is 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid is CC(C)(C)Oc1cccc(CNc2cnc(C(=O)O)cn2)n1.
What is the InChIKey of 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is FUGUOPFTJBZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(2,3)22-13-6-4-5-10(19-13)7-17-12-9-16-11(8-18-12)14(20)21/h4-6,8-9H,7H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid?
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).