(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide

C17H29N5O3 — CID 95058633

IUPAC(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide
SMILESCCCCN(NC(=O)c1cnccn1)[C@@H](CCC)C(=O)NCCOC
InChIInChI=1S/C17H29N5O3/c1-4-6-11-22(21-16(23)14-13-18-8-9-19-14)15(7-5-2)17(24)20-10-12-25-3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyDNIMDNYPXQEYKE-HNNXBMFYSA-N
MW351.45 g/mol
LogP1.15
Rot. Bonds12

About (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide

(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide (PubChem CID 95058633) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide
PubChem CID95058633
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide
SMILESCCCCN(NC(=O)c1cnccn1)[C@@H](CCC)C(=O)NCCOC
InChIInChI=1S/C17H29N5O3/c1-4-6-11-22(21-16(23)14-13-18-8-9-19-14)15(7-5-2)17(24)20-10-12-25-3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyDNIMDNYPXQEYKE-HNNXBMFYSA-N
XLogP1.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide
CID 53041392
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 39231127
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
CID 103152974
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide?
The IUPAC name of (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide (CID 95058633) is (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide is CCCCN(NC(=O)c1cnccn1)[C@@H](CCC)C(=O)NCCOC.
What is the InChIKey of (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide?
The InChIKey is DNIMDNYPXQEYKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-4-6-11-22(21-16(23)14-13-18-8-9-19-14)15(7-5-2)17(24)20-10-12-25-3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide?
(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide has a molecular weight of 351.45 g/mol, XLogP of 1.15, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 95058633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).