3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide

C11H16Cl2N4O — CID 102759699

IUPAC3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-6(2)16-9(18)3-4-15-11-8(13)5-7(12)10(14)17-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyLYSVQLNRKQARCW-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.30
Rot. Bonds5

About 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide

3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide (PubChem CID 102759699) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
PubChem CID102759699
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-6(2)16-9(18)3-4-15-11-8(13)5-7(12)10(14)17-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyLYSVQLNRKQARCW-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide (CID 102759699) is 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is LYSVQLNRKQARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-6(2)16-9(18)3-4-15-11-8(13)5-7(12)10(14)17-11/h5-6H,3-4H2,1-2H3,(H,16,18)(H3,14,15,17).
What are the key properties of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide?
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 291.18 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102759699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).