2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide

C11H14BrN3O2 — CID 114193960

IUPAC2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(O)C2CC2)c(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c12-8-4-14-10(13)3-7(8)11(17)15-5-9(16)6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,13,14)(H,15,17)
InChIKeyHJNHZXCJOIASKB-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide

2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 114193960) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID114193960
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(O)C2CC2)c(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c12-8-4-14-10(13)3-7(8)11(17)15-5-9(16)6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,13,14)(H,15,17)
InChIKeyHJNHZXCJOIASKB-UHFFFAOYSA-N
XLogP0.93
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 114194050
2-amino-5-bromo-N-(2-butoxyethyl)pyridine-4-carboxamide
CID 114193926
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide (CID 114193960) is 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC(O)C2CC2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is HJNHZXCJOIASKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-8-4-14-10(13)3-7(8)11(17)15-5-9(16)6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114193960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).