N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C21H23N5O2 — CID 46832618

IUPACN-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCOC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H23N5O2/c1-27-15-17-5-4-14-26(17)20-21(24-13-12-23-20)28-18-9-7-16(8-10-18)25-19-6-2-3-11-22-19/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyYUZBHYHIGQXOMZ-QGZVFWFLSA-N
MW377.45 g/mol
LogP4.02
Rot. Bonds7

About N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine

N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 46832618) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID46832618
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCOC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H23N5O2/c1-27-15-17-5-4-14-26(17)20-21(24-13-12-23-20)28-18-9-7-16(8-10-18)25-19-6-2-3-11-22-19/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyYUZBHYHIGQXOMZ-QGZVFWFLSA-N
XLogP4.02
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 46832618) is N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine is COC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is YUZBHYHIGQXOMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-27-15-17-5-4-14-26(17)20-21(24-13-12-23-20)28-18-9-7-16(8-10-18)25-19-6-2-3-11-22-19/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 377.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 46832618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).