2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide

C11H15BrN4O2 — CID 114194094

IUPAC2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cc(N)ncc1Br
InChIInChI=1S/C11H15BrN4O2/c12-8-6-16-9(13)5-7(8)11(18)15-4-2-1-3-10(14)17/h5-6H,1-4H2,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyJAOCCMYFWRMBQN-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.81
Rot. Bonds6

About 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide

2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide (PubChem CID 114194094) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
PubChem CID114194094
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cc(N)ncc1Br
InChIInChI=1S/C11H15BrN4O2/c12-8-6-16-9(13)5-7(8)11(18)15-4-2-1-3-10(14)17/h5-6H,1-4H2,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyJAOCCMYFWRMBQN-UHFFFAOYSA-N
XLogP0.81
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
CID 114193926
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 114194050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide (CID 114194094) is 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide is NC(=O)CCCCNC(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide?
The InChIKey is JAOCCMYFWRMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c12-8-6-16-9(13)5-7(8)11(18)15-4-2-1-3-10(14)17/h5-6H,1-4H2,(H2,13,16)(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide?
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide is sourced from PubChem (CID 114194094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).