N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide

C21H35N5O2 — CID 42783403

IUPACN-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCC(C)N(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1
InChIInChI=1S/C21H35N5O2/c1-4-17(2)26(21(28)19-16-22-11-12-23-19)15-9-20(27)24-10-7-14-25-13-6-5-8-18(25)3/h11-12,16-18H,4-10,13-15H2,1-3H3,(H,24,27)
InChIKeyHIDGXIJFOZWNGQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.49
Rot. Bonds10

About N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide

N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 42783403) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID42783403
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCCC(C)N(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1
InChIInChI=1S/C21H35N5O2/c1-4-17(2)26(21(28)19-16-22-11-12-23-19)15-9-20(27)24-10-7-14-25-13-6-5-8-18(25)3/h11-12,16-18H,4-10,13-15H2,1-3H3,(H,24,27)
InChIKeyHIDGXIJFOZWNGQ-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.49
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-(2-methoxyethyl)-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783353
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
CID 5198140
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide (CID 42783403) is N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide is CCC(C)N(CCC(=O)NCCCN1CCCCC1C)C(=O)c1cnccn1.
What is the InChIKey of N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is HIDGXIJFOZWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-17(2)26(21(28)19-16-22-11-12-23-19)15-9-20(27)24-10-7-14-25-13-6-5-8-18(25)3/h11-12,16-18H,4-10,13-15H2,1-3H3,(H,24,27).
What are the key properties of N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide?
N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).