N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C13H21N3O2 — CID 103918750

IUPACN-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CCCN(C)C)c[nH]1
InChIInChI=1S/C13H21N3O2/c1-10-8-12(17)11(9-14-10)13(18)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyBDCTUYPEMLNUEH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103918750) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103918750
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CCCN(C)C)c[nH]1
InChIInChI=1S/C13H21N3O2/c1-10-8-12(17)11(9-14-10)13(18)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyBDCTUYPEMLNUEH-UHFFFAOYSA-N
XLogP0.71
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N,6-dimethyl-4-oxo-N-(trimethylsilylmethyl)-1H-pyridine-3-carboxamide
CID 154765821
N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 113247126
N,6-dimethyl-N-[(2-methylphenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696213
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103718200
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
N-cyclopropyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717557
N-butyl-N-(2-chloroethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039284
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717353

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 103918750) is N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)CCCN(C)C)c[nH]1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BDCTUYPEMLNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-12(17)11(9-14-10)13(18)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103918750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).