3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide

C19H25ClN6O — CID 86656628

IUPAC3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NCCN2CCC(Cc3ccccc3)CC2)nc1Cl
InChIInChI=1S/C19H25ClN6O/c20-16-18(22)25-17(21)15(24-16)19(27)23-8-11-26-9-6-14(7-10-26)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,23,27)(H4,21,22,25)
InChIKeyGAXBJACXEXGPEB-UHFFFAOYSA-N
MW388.90 g/mol
LogP1.98
Rot. Bonds6

About 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide (PubChem CID 86656628) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
PubChem CID86656628
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NCCN2CCC(Cc3ccccc3)CC2)nc1Cl
InChIInChI=1S/C19H25ClN6O/c20-16-18(22)25-17(21)15(24-16)19(27)23-8-11-26-9-6-14(7-10-26)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,23,27)(H4,21,22,25)
InChIKeyGAXBJACXEXGPEB-UHFFFAOYSA-N
XLogP1.98
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
3,5-diamino-N-[N'-[(3S)-1-benzylpyrrolidin-3-yl]carbamimidoyl]-6-chloropyrazine-2-carboxamide chloride
CID 162330319
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
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1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578
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3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863964
N-[2-(4-benzylpiperidin-1-yl)ethyl]-4H-1,3-benzodioxine-5-carboxamide
CID 175409763
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide (CID 86656628) is 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NCCN2CCC(Cc3ccccc3)CC2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is GAXBJACXEXGPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c20-16-18(22)25-17(21)15(24-16)19(27)23-8-11-26-9-6-14(7-10-26)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,23,27)(H4,21,22,25).
What are the key properties of 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 86656628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).