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

C20H22N4O3 — CID 71525576

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c21-18(25)16(13-4-2-1-3-5-13)24-19(26)15-10-22-17(14-8-9-14)20(23-15)27-11-12-6-7-12/h1-5,10,12,14,16H,6-9,11H2,(H2,21,25)(H,24,26)/t16-/m0/s1
InChIKeyONOFWQOMNXXKBI-INIZCTEOSA-N
MW366.42 g/mol
LogP2.10
Rot. Bonds8

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

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 71525576) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID71525576
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c21-18(25)16(13-4-2-1-3-5-13)24-19(26)15-10-22-17(14-8-9-14)20(23-15)27-11-12-6-7-12/h1-5,10,12,14,16H,6-9,11H2,(H2,21,25)(H,24,26)/t16-/m0/s1
InChIKeyONOFWQOMNXXKBI-INIZCTEOSA-N
XLogP2.10
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 71525576) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is NC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is ONOFWQOMNXXKBI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-18(25)16(13-4-2-1-3-5-13)24-19(26)15-10-22-17(14-8-9-14)20(23-15)27-11-12-6-7-12/h1-5,10,12,14,16H,6-9,11H2,(H2,21,25)(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71525576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).