N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine

C19H19N5O — CID 46832331

IUPACN-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3N3CCCC3)cc2)nc1
InChIInChI=1S/C19H19N5O/c1-2-10-20-17(5-1)23-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H,20,23)
InChIKeyCMQJIEOYOVEUAB-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.01
Rot. Bonds5

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

N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine (PubChem CID 46832331) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
PubChem CID46832331
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3N3CCCC3)cc2)nc1
InChIInChI=1S/C19H19N5O/c1-2-10-20-17(5-1)23-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H,20,23)
InChIKeyCMQJIEOYOVEUAB-UHFFFAOYSA-N
XLogP4.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine (CID 46832331) is N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3nccnc3N3CCCC3)cc2)nc1.
What is the InChIKey of N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The InChIKey is CMQJIEOYOVEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-10-20-17(5-1)23-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H,20,23).
What are the key properties of N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 46832331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).