N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide

C12H20N4O — CID 104641145

IUPACN-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCCN(C)CCNC(=O)c1ccc(NC)cn1
InChIInChI=1S/C12H20N4O/c1-4-16(3)8-7-14-12(17)11-6-5-10(13-2)9-15-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyDQBKRAHCAVZJJU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide

N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104641145) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
PubChem CID104641145
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCCN(C)CCNC(=O)c1ccc(NC)cn1
InChIInChI=1S/C12H20N4O/c1-4-16(3)8-7-14-12(17)11-6-5-10(13-2)9-15-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyDQBKRAHCAVZJJU-UHFFFAOYSA-N
XLogP0.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide (CID 104641145) is N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide is CCN(C)CCNC(=O)c1ccc(NC)cn1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is DQBKRAHCAVZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(3)8-7-14-12(17)11-6-5-10(13-2)9-15-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide?
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).