N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide

C14H22Cl2N4O — CID 102759658

IUPACN-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
SMILESCCNc1nc(NC(C)C(=O)NC(C)(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4O/c1-6-17-11-9(15)7-10(16)12(19-11)18-8(2)13(21)20-14(3,4)5/h7-8H,6H2,1-5H3,(H,20,21)(H2,17,18,19)
InChIKeyHOJIIKSNXHHFJR-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.54
Rot. Bonds5

About N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide

N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide (PubChem CID 102759658) has the molecular formula C14H22Cl2N4O and a molecular weight of 333.26 g/mol. Its IUPAC name is N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
PubChem CID102759658
Molecular FormulaC14H22Cl2N4O
Molecular Weight333.26 g/mol
Exact Mass332.12
IUPAC NameN-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
SMILESCCNc1nc(NC(C)C(=O)NC(C)(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N4O/c1-6-17-11-9(15)7-10(16)12(19-11)18-8(2)13(21)20-14(3,4)5/h7-8H,6H2,1-5H3,(H,20,21)(H2,17,18,19)
InChIKeyHOJIIKSNXHHFJR-UHFFFAOYSA-N
XLogP3.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol
CID 102757921
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 102760014
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
CID 115626557
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103114114
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
CID 104726706

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide (CID 102759658) is N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide is CCNc1nc(NC(C)C(=O)NC(C)(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide?
The InChIKey is HOJIIKSNXHHFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N4O/c1-6-17-11-9(15)7-10(16)12(19-11)18-8(2)13(21)20-14(3,4)5/h7-8H,6H2,1-5H3,(H,20,21)(H2,17,18,19).
What are the key properties of N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide?
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide has a molecular weight of 333.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 102759658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).