N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

C21H26N4O3 — CID 7297460

IUPACN-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-16(17-6-3-2-4-7-17)24-20(26)9-12-25(15-18-8-5-13-28-18)21(27)19-14-22-10-11-23-19/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13,15H2,1H3,(H,24,26)/t16-,18-/m1/s1
InChIKeyICZZMMBNIWWALV-SJLPKXTDSA-N
MW382.46 g/mol
LogP2.37
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 7297460) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID7297460
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-16(17-6-3-2-4-7-17)24-20(26)9-12-25(15-18-8-5-13-28-18)21(27)19-14-22-10-11-23-19/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13,15H2,1H3,(H,24,26)/t16-,18-/m1/s1
InChIKeyICZZMMBNIWWALV-SJLPKXTDSA-N
XLogP2.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazine-2-carboxamide
CID 135758858

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (CID 7297460) is N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is C[C@@H](NC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is ICZZMMBNIWWALV-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16(17-6-3-2-4-7-17)24-20(26)9-12-25(15-18-8-5-13-28-18)21(27)19-14-22-10-11-23-19/h2-4,6-7,10-11,14,16,18H,5,8-9,12-13,15H2,1H3,(H,24,26)/t16-,18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7297460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).