N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide

C18H28N4O3 — CID 7264899

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cnccn1
InChIInChI=1S/C18H28N4O3/c1-2-3-4-8-21-17(23)7-11-22(14-15-6-5-12-25-15)18(24)16-13-19-9-10-20-16/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGOAYSVQUJDCKFF-HNNXBMFYSA-N
MW348.45 g/mol
LogP1.79
Rot. Bonds10

About N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (PubChem CID 7264899) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
PubChem CID7264899
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cnccn1
InChIInChI=1S/C18H28N4O3/c1-2-3-4-8-21-17(23)7-11-22(14-15-6-5-12-25-15)18(24)16-13-19-9-10-20-16/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGOAYSVQUJDCKFF-HNNXBMFYSA-N
XLogP1.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237890
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237889
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (CID 7264899) is N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is CCCCCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cnccn1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is GOAYSVQUJDCKFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-3-4-8-21-17(23)7-11-22(14-15-6-5-12-25-15)18(24)16-13-19-9-10-20-16/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7264899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).