N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide

C19H24N4O2 — CID 68731692

IUPACN-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-7,10-11,13-14,16H,8-9,12H2,1-2H3,(H,22,24)(H,23,25)/t16-/m0/s1
InChIKeyUJZOAWFAGJVEGQ-INIZCTEOSA-N
MW340.43 g/mol
LogP1.98
Rot. Bonds8

About N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide (PubChem CID 68731692) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
PubChem CID68731692
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-7,10-11,13-14,16H,8-9,12H2,1-2H3,(H,22,24)(H,23,25)/t16-/m0/s1
InChIKeyUJZOAWFAGJVEGQ-INIZCTEOSA-N
XLogP1.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide (CID 68731692) is N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide is CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1.
What is the InChIKey of N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is UJZOAWFAGJVEGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-7,10-11,13-14,16H,8-9,12H2,1-2H3,(H,22,24)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).