5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide

C14H20BrN3O2 — CID 62955102

IUPAC5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H20BrN3O2/c1-3-7-16-13(19)10-18(8-4-2)14(20)12-6-5-11(15)9-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyPOCQUSKSXXKXNP-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.22
Rot. Bonds7

About 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide

5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide (PubChem CID 62955102) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
PubChem CID62955102
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H20BrN3O2/c1-3-7-16-13(19)10-18(8-4-2)14(20)12-6-5-11(15)9-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyPOCQUSKSXXKXNP-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
CID 96537550
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide (CID 62955102) is 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
The InChIKey is POCQUSKSXXKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-7-16-13(19)10-18(8-4-2)14(20)12-6-5-11(15)9-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide?
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 62955102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).