2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide

C13H21ClN4O — CID 62892210

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4O/c1-4-7-18(9-13(19)17(2)3)8-11-10(14)5-6-12(15)16-11/h5-6H,4,7-9H2,1-3H3,(H2,15,16)
InChIKeyNVPNNVWMMIXEJI-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.62
Rot. Bonds6

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide

2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 62892210) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID62892210
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4O/c1-4-7-18(9-13(19)17(2)3)8-11-10(14)5-6-12(15)16-11/h5-6H,4,7-9H2,1-3H3,(H2,15,16)
InChIKeyNVPNNVWMMIXEJI-UHFFFAOYSA-N
XLogP1.62
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
CID 62892874
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 62890998
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
5-chloro-6-[[cyclopropyl(propyl)amino]methyl]pyridin-2-amine
CID 62891822
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554407
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
CID 62890423
2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 103056034
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62305807
6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
CID 62892716
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
CID 62892380

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide (CID 62892210) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is NVPNNVWMMIXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-7-18(9-13(19)17(2)3)8-11-10(14)5-6-12(15)16-11/h5-6H,4,7-9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 284.79 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62892210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).