5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide

C14H21BrClN3O — CID 62000661

IUPAC5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cc(Br)cnc1Cl)N(C)C
InChIInChI=1S/C14H21BrClN3O/c1-9(2)5-11(19(3)4)8-18-14(20)12-6-10(15)7-17-13(12)16/h6-7,9,11H,5,8H2,1-4H3,(H,18,20)
InChIKeyPIZYSXINLUVTNM-UHFFFAOYSA-N
MW362.70 g/mol
LogP3.20
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide (PubChem CID 62000661) has the molecular formula C14H21BrClN3O and a molecular weight of 362.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
PubChem CID62000661
Molecular FormulaC14H21BrClN3O
Molecular Weight362.70 g/mol
Exact Mass361.06
IUPAC Name5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1cc(Br)cnc1Cl)N(C)C
InChIInChI=1S/C14H21BrClN3O/c1-9(2)5-11(19(3)4)8-18-14(20)12-6-10(15)7-17-13(12)16/h6-7,9,11H,5,8H2,1-4H3,(H,18,20)
InChIKeyPIZYSXINLUVTNM-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62000473
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
CID 103854605
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
5-bromo-2-chloro-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 71861931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide (CID 62000661) is 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide is CC(C)CC(CNC(=O)c1cc(Br)cnc1Cl)N(C)C.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide?
The InChIKey is PIZYSXINLUVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3O/c1-9(2)5-11(19(3)4)8-18-14(20)12-6-10(15)7-17-13(12)16/h6-7,9,11H,5,8H2,1-4H3,(H,18,20).
What are the key properties of 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide has a molecular weight of 362.70 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 62000661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).