3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide

C15H25ClN4O — CID 106917976

IUPAC3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCCCNc1ccc(Cl)c(CN(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C15H25ClN4O/c1-5-8-18-14-7-6-12(16)13(19-14)10-20(4)9-11(2)15(21)17-3/h6-7,11H,5,8-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyPZXYBSSTYOVYRV-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.37
Rot. Bonds8

About 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide

3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917976) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106917976
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCCCNc1ccc(Cl)c(CN(C)CC(C)C(=O)NC)n1
InChIInChI=1S/C15H25ClN4O/c1-5-8-18-14-7-6-12(16)13(19-14)10-20(4)9-11(2)15(21)17-3/h6-7,11H,5,8-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyPZXYBSSTYOVYRV-UHFFFAOYSA-N
XLogP2.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
CID 62890423
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 112664254
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propan-2-ol
CID 62892238
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]-N-methylacetamide
CID 62891649
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide (CID 106917976) is 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide is CCCNc1ccc(Cl)c(CN(C)CC(C)C(=O)NC)n1.
What is the InChIKey of 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is PZXYBSSTYOVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-5-8-18-14-7-6-12(16)13(19-14)10-20(4)9-11(2)15(21)17-3/h6-7,11H,5,8-10H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide?
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 312.85 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).