5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide

C14H22BrN3O2 — CID 62177656

IUPAC5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCO)C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-4-5-16-13-12(8-11(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17)
InChIKeyRNWHWERPUDSVKD-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.51
Rot. Bonds7

About 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62177656) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
PubChem CID62177656
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(CCO)C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-4-5-16-13-12(8-11(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17)
InChIKeyRNWHWERPUDSVKD-UHFFFAOYSA-N
XLogP2.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 113232541
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
CID 62179650
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide (CID 62177656) is 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)N(CCO)C(C)C.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is RNWHWERPUDSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-5-16-13-12(8-11(15)9-17-13)14(20)18(6-7-19)10(2)3/h8-10,19H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62177656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).