N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide

C23H24N4O3 — CID 66689045

IUPACN-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@H](CO)c2ccccc2)c1=O
InChIInChI=1S/C23H24N4O3/c1-15-7-8-17(22(29)25-18-9-10-18)13-20(15)27-12-11-24-21(23(27)30)26-19(14-28)16-5-3-2-4-6-16/h2-8,11-13,18-19,28H,9-10,14H2,1H3,(H,24,26)(H,25,29)/t19-/m1/s1
InChIKeyPKKLFMLVABKBPR-LJQANCHMSA-N
MW404.47 g/mol
LogP2.58
Rot. Bonds7

About N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide

N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide (PubChem CID 66689045) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
PubChem CID66689045
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@H](CO)c2ccccc2)c1=O
InChIInChI=1S/C23H24N4O3/c1-15-7-8-17(22(29)25-18-9-10-18)13-20(15)27-12-11-24-21(23(27)30)26-19(14-28)16-5-3-2-4-6-16/h2-8,11-13,18-19,28H,9-10,14H2,1H3,(H,24,26)(H,25,29)/t19-/m1/s1
InChIKeyPKKLFMLVABKBPR-LJQANCHMSA-N
XLogP2.58
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide (CID 66689045) is N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@H](CO)c2ccccc2)c1=O.
What is the InChIKey of N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The InChIKey is PKKLFMLVABKBPR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-7-8-17(22(29)25-18-9-10-18)13-20(15)27-12-11-24-21(23(27)30)26-19(14-28)16-5-3-2-4-6-16/h2-8,11-13,18-19,28H,9-10,14H2,1H3,(H,24,26)(H,25,29)/t19-/m1/s1.
What are the key properties of N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 66689045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).