N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

C19H19N5O — CID 46832915

IUPACN-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3NCC3CC3)cc2)nc1
InChIInChI=1S/C19H19N5O/c1-2-10-20-17(3-1)24-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)23-13-14-4-5-14/h1-3,6-12,14H,4-5,13H2,(H,20,24)(H,21,23)
InChIKeyGLTISMKGQAZAKU-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.23
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (PubChem CID 46832915) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
PubChem CID46832915
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3NCC3CC3)cc2)nc1
InChIInChI=1S/C19H19N5O/c1-2-10-20-17(3-1)24-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)23-13-14-4-5-14/h1-3,6-12,14H,4-5,13H2,(H,20,24)(H,21,23)
InChIKeyGLTISMKGQAZAKU-UHFFFAOYSA-N
XLogP4.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (CID 46832915) is N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is c1ccc(Nc2ccc(Oc3nccnc3NCC3CC3)cc2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The InChIKey is GLTISMKGQAZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-10-20-17(3-1)24-15-6-8-16(9-7-15)25-19-18(21-11-12-22-19)23-13-14-4-5-14/h1-3,6-12,14H,4-5,13H2,(H,20,24)(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 46832915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).