N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide

C13H20N4O2 — CID 43402718

IUPACN,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
SMILESCCCNC(=O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-4-6-15-12(18)9-16-10-5-7-14-11(8-10)13(19)17(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyPASFOVXFDMXFDL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.72
Rot. Bonds6

About N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide

N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide (PubChem CID 43402718) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
PubChem CID43402718
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
SMILESCCCNC(=O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-4-6-15-12(18)9-16-10-5-7-14-11(8-10)13(19)17(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyPASFOVXFDMXFDL-UHFFFAOYSA-N
XLogP0.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
CID 60703987
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide (CID 43402718) is N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide is CCCNC(=O)CNc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide?
The InChIKey is PASFOVXFDMXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-6-15-12(18)9-16-10-5-7-14-11(8-10)13(19)17(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide?
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 43402718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).