N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide

C28H46BrN6O2P — CID 158257550

IUPACN-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Br)n1.CCN(CC)P(c1cccc(NC(=O)C(C)(C)C)n1)N(CC)CC
InChIInChI=1S/C18H33N4OP.C10H13BrN2O/c1-8-21(9-2)24(22(10-3)11-4)16-14-12-13-15(19-16)20-17(23)18(5,6)7;1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h12-14H,8-11H2,1-7H3,(H,19,20,23);4-6H,1-3H3,(H,12,13,14)
InChIKeyGHLVQKXMLVUKRP-UHFFFAOYSA-N
MW609.59 g/mol
LogP6.52
Rot. Bonds9

About N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide

N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 158257550) has the molecular formula C28H46BrN6O2P and a molecular weight of 609.59 g/mol. Its IUPAC name is N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID158257550
Molecular FormulaC28H46BrN6O2P
Molecular Weight609.59 g/mol
Exact Mass608.26
IUPAC NameN-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Br)n1.CCN(CC)P(c1cccc(NC(=O)C(C)(C)C)n1)N(CC)CC
InChIInChI=1S/C18H33N4OP.C10H13BrN2O/c1-8-21(9-2)24(22(10-3)11-4)16-14-12-13-15(19-16)20-17(23)18(5,6)7;1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h12-14H,8-11H2,1-7H3,(H,19,20,23);4-6H,1-3H3,(H,12,13,14)
InChIKeyGHLVQKXMLVUKRP-UHFFFAOYSA-N
XLogP6.52
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.59
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide
CID 87356862
2,2-dimethyl-N-(6-phosphanyl-2-pyridinyl)propanamide
CID 70898428
2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide
CID 102181081
2,2-dimethyl-N-[6-(nitrosomethyl)-2-pyridinyl]propanamide
CID 90865597
tert-butyl N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcarbamate
CID 130300245
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130161849
N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
N-(6-bromo-2-pyridinyl)-2-ethylhexanamide
CID 43520540

Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide (CID 158257550) is N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(Br)n1.CCN(CC)P(c1cccc(NC(=O)C(C)(C)C)n1)N(CC)CC.
What is the InChIKey of N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is GHLVQKXMLVUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N4OP.C10H13BrN2O/c1-8-21(9-2)24(22(10-3)11-4)16-14-12-13-15(19-16)20-17(23)18(5,6)7;1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h12-14H,8-11H2,1-7H3,(H,19,20,23);4-6H,1-3H3,(H,12,13,14).
What are the key properties of N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 609.59 g/mol, XLogP of 6.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(diethylamino)phosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide;N-(6-bromo-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 158257550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).