3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide

C16H29ClN8O — CID 87667873

IUPAC3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
SMILES[H]/N=C(\N)N(CCCCCCCCCCN)C(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C16H29ClN8O/c17-12-14(20)24-13(19)11(23-12)15(26)25(16(21)22)10-8-6-4-2-1-3-5-7-9-18/h1-10,18H2,(H3,21,22)(H4,19,20,24)
InChIKeyYWJIUNXWVBEALX-UHFFFAOYSA-N
MW384.92 g/mol
LogP1.71
Rot. Bonds11

About 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide

3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide (PubChem CID 87667873) has the molecular formula C16H29ClN8O and a molecular weight of 384.92 g/mol. Its IUPAC name is 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
PubChem CID87667873
Molecular FormulaC16H29ClN8O
Molecular Weight384.92 g/mol
Exact Mass384.22
IUPAC Name3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
SMILES[H]/N=C(\N)N(CCCCCCCCCCN)C(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C16H29ClN8O/c17-12-14(20)24-13(19)11(23-12)15(26)25(16(21)22)10-8-6-4-2-1-3-5-7-9-18/h1-10,18H2,(H3,21,22)(H4,19,20,24)
InChIKeyYWJIUNXWVBEALX-UHFFFAOYSA-N
XLogP1.71
TPSA174.02 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 51.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-carbamimidoyl-N-[5-[carbamimidoyl-(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]pentyl]-6-chloropyrazine-2-carboxamide;dihydrobromide
CID 87728855
3,5-diamino-N-carbamimidoyl-6-chloro-N-[12-(1H-imidazol-2-ylamino)-12-oxododecyl]pyrazine-2-carboxamide
CID 154118097
3,5-diamino-N-carbamimidoyl-6-chloro-N-[4-[1-(3-hydroxypropyl)piperidin-4-yl]butyl]pyrazine-2-carboxamide;dihydrochloride
CID 87767579
1-[4-[carbamimidoyl-(3,5-diamino-6-chloropyrazin-2-yl)amino]butyl]-1-(3,5-diamino-6-chloropyrazin-2-yl)guanidine
CID 23002931
3,5-diamino-6-chloropyrazine-2-carboximidamide
CID 143760952
4-aminobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 86656641
3,5-diamino-N-[N'-(6-aminohexyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714739
3,5-diamino-N-[N'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343
3,5-diamino-N-[(2S)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloropyrazine-2-carboxamide
CID 44513784
3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 137321662

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide (CID 87667873) is 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide is [H]/N=C(\N)N(CCCCCCCCCCN)C(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide?
The InChIKey is YWJIUNXWVBEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN8O/c17-12-14(20)24-13(19)11(23-12)15(26)25(16(21)22)10-8-6-4-2-1-3-5-7-9-18/h1-10,18H2,(H3,21,22)(H4,19,20,24).
What are the key properties of 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide has a molecular weight of 384.92 g/mol, XLogP of 1.71, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(10-aminodecyl)-N-carbamimidoyl-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 87667873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).