2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid

C19H24N4O2 — CID 176990201

IUPAC2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid
SMILESCC(CNCC1CNc2cccnc2N1)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H24N4O2/c1-13(15-5-2-4-14(8-15)9-18(24)25)10-20-11-16-12-22-17-6-3-7-21-19(17)23-16/h2-8,13,16,20,22H,9-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyADOUUNIVMBRPPD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.31
Rot. Bonds7

About 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid

2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid (PubChem CID 176990201) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid
PubChem CID176990201
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid
SMILESCC(CNCC1CNc2cccnc2N1)c1cccc(CC(=O)O)c1
InChIInChI=1S/C19H24N4O2/c1-13(15-5-2-4-14(8-15)9-18(24)25)10-20-11-16-12-22-17-6-3-7-21-19(17)23-16/h2-8,13,16,20,22H,9-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyADOUUNIVMBRPPD-UHFFFAOYSA-N
XLogP2.31
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid (CID 176990201) is 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid is CC(CNCC1CNc2cccnc2N1)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid?
The InChIKey is ADOUUNIVMBRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(15-5-2-4-14(8-15)9-18(24)25)10-20-11-16-12-22-17-6-3-7-21-19(17)23-16/h2-8,13,16,20,22H,9-12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid?
2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid has a molecular weight of 340.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-ylmethylamino)propan-2-yl]phenyl]acetic acid is sourced from PubChem (CID 176990201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).