3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol

C13H21Cl2N3O — CID 102759896

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
SMILESCCCNc1nc(NC(C)C(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-5-16-12-10(14)6-11(15)13(18-12)17-9(3)8(2)7-19/h6,8-9,19H,4-5,7H2,1-3H3,(H2,16,17,18)
InChIKeyDNVJRGSDTDCCCX-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.64
Rot. Bonds7

About 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol (PubChem CID 102759896) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
PubChem CID102759896
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
SMILESCCCNc1nc(NC(C)C(C)CO)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-5-16-12-10(14)6-11(15)13(18-12)17-9(3)8(2)7-19/h6,8-9,19H,4-5,7H2,1-3H3,(H2,16,17,18)
InChIKeyDNVJRGSDTDCCCX-UHFFFAOYSA-N
XLogP3.64
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
3,5-dichloro-2-N-propyl-6-N-(1-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102756051
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol (CID 102759896) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol is CCCNc1nc(NC(C)C(C)CO)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The InChIKey is DNVJRGSDTDCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3O/c1-4-5-16-12-10(14)6-11(15)13(18-12)17-9(3)8(2)7-19/h6,8-9,19H,4-5,7H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol has a molecular weight of 306.24 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 102759896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).