6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid

C16H18N4O4 — CID 91837071

IUPAC6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1
InChIInChI=1S/C16H18N4O4/c21-16(22)13-7-17-8-15(20-13)19-12-4-6-23-10-14(12)24-9-11-3-1-2-5-18-11/h1-3,5,7-8,12,14H,4,6,9-10H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyTZRASNUQEDXWTM-TZMCWYRMSA-N
MW330.34 g/mol
LogP1.36
Rot. Bonds6

About 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid

6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 91837071) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid
PubChem CID91837071
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1
InChIInChI=1S/C16H18N4O4/c21-16(22)13-7-17-8-15(20-13)19-12-4-6-23-10-14(12)24-9-11-3-1-2-5-18-11/h1-3,5,7-8,12,14H,4,6,9-10H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyTZRASNUQEDXWTM-TZMCWYRMSA-N
XLogP1.36
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine
CID 164635819
N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-imidazole-5-carboxamide
CID 164637524
5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171558820
6-Methyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid ethyl ester
CID 67151989
Methyl 5-[(4-hydroxycyclohexyl)amino]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxylate
CID 68042471
Methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate
CID 69351627
Ethyl 3-amino-6-methylpyrazine-2-carboxylate;ethyl 6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxylate
CID 157396281
3-[[6-(Morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrazine-2-carboxylic acid
CID 172212026
Methyl 3-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrazine-2-carboxylate
CID 172212036
4-(Methylamino)-2-[(6-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid
CID 175319265
4-(Methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid
CID 175319266
Pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 43053880

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid (CID 91837071) is 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1.
What is the InChIKey of 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is TZRASNUQEDXWTM-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-16(22)13-7-17-8-15(20-13)19-12-4-6-23-10-14(12)24-9-11-3-1-2-5-18-11/h1-3,5,7-8,12,14H,4,6,9-10H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1.
What are the key properties of 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid?
6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 91837071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).