3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide

C12H22ClN7O — CID 23035418

IUPAC3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide
SMILESCCC(CCN)NCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C12H22ClN7O/c1-2-7(3-4-14)17-5-6-18-12(21)8-10(15)20-11(16)9(13)19-8/h7,17H,2-6,14H2,1H3,(H,18,21)(H4,15,16,20)
InChIKeyCIWRZTKWKXPSTD-UHFFFAOYSA-N
MW315.81 g/mol
LogP-0.26
Rot. Bonds8

About 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide (PubChem CID 23035418) has the molecular formula C12H22ClN7O and a molecular weight of 315.81 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide
PubChem CID23035418
Molecular FormulaC12H22ClN7O
Molecular Weight315.81 g/mol
Exact Mass315.16
IUPAC Name3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide
SMILESCCC(CCN)NCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C12H22ClN7O/c1-2-7(3-4-14)17-5-6-18-12(21)8-10(15)20-11(16)9(13)19-8/h7,17H,2-6,14H2,1H3,(H,18,21)(H4,15,16,20)
InChIKeyCIWRZTKWKXPSTD-UHFFFAOYSA-N
XLogP-0.26
TPSA144.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
CID 44513113
3,5-diamino-N-[2-[[2-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]-6-chloropyrazine-2-carboxamide
CID 19863349
4-aminobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 86656641
[(2S)-1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]pentan-2-yl]-trimethylazanium
CID 57389653
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343
3,5-diamino-N-[3-(2-aminoethylamino)-2-(methylamino)-4-oxobutyl]-6-chloropyrazine-2-carboxamide
CID 88653049
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
2-[(4-chlorobenzoyl)amino]ethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 57391556
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propan-2-yl-trimethylazanium
CID 58398853
2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[1-(methanesulfonamido)ethyl]-dimethylazanium
CID 87366097
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide (CID 23035418) is 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide is CCC(CCN)NCCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is CIWRZTKWKXPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN7O/c1-2-7(3-4-14)17-5-6-18-12(21)8-10(15)20-11(16)9(13)19-8/h7,17H,2-6,14H2,1H3,(H,18,21)(H4,15,16,20).
What are the key properties of 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 315.81 g/mol, XLogP of -0.26, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(1-aminopentan-3-ylamino)ethyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 23035418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).