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

C21H24N4O3 — CID 78098470

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)C(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)
InChIKeyDCEUARWFNHKXCW-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.97
Rot. Bonds9

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

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 78098470) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID78098470
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)C(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)
InChIKeyDCEUARWFNHKXCW-UHFFFAOYSA-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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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71525851
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71525400
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
CID 86682331
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087216
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
CID 25148045

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 78098470) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is DCEUARWFNHKXCW-UHFFFAOYSA-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).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-(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-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 78098470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).