N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

C21H24N4O3 — CID 71525850

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H24N4O3/c22-19(26)16(10-13-4-2-1-3-5-13)24-20(27)17-11-23-18(15-8-9-15)21(25-17)28-12-14-6-7-14/h1-5,11,14-16H,6-10,12H2,(H2,22,26)(H,24,27)/t16-/m0/s1
InChIKeyDCEUARWFNHKXCW-INIZCTEOSA-N
MW380.45 g/mol
LogP1.97
Rot. Bonds9

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 71525850) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID71525850
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C21H24N4O3/c22-19(26)16(10-13-4-2-1-3-5-13)24-20(27)17-11-23-18(15-8-9-15)21(25-17)28-12-14-6-7-14/h1-5,11,14-16H,6-10,12H2,(H2,22,26)(H,24,27)/t16-/m0/s1
InChIKeyDCEUARWFNHKXCW-INIZCTEOSA-N
XLogP1.97
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 71525850) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is DCEUARWFNHKXCW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-19(26)16(10-13-4-2-1-3-5-13)24-20(27)17-11-23-18(15-8-9-15)21(25-17)28-12-14-6-7-14/h1-5,11,14-16H,6-10,12H2,(H2,22,26)(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71525850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).