N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide

C13H20N4O2 — CID 106280202

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cnccc1NC
InChIInChI=1S/C13H20N4O2/c1-13(2,12(19)15-4)8-17-11(18)9-7-16-6-5-10(9)14-3/h5-7H,8H2,1-4H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyPOHDYRKVJVELKN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.63
Rot. Bonds5

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 106280202) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID106280202
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cnccc1NC
InChIInChI=1S/C13H20N4O2/c1-13(2,12(19)15-4)8-17-11(18)9-7-16-6-5-10(9)14-3/h5-7H,8H2,1-4H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyPOHDYRKVJVELKN-UHFFFAOYSA-N
XLogP0.63
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 81245260
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
4-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 81239742
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 106280158

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide (CID 106280202) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1cnccc1NC.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is POHDYRKVJVELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,12(19)15-4)8-17-11(18)9-7-16-6-5-10(9)14-3/h5-7H,8H2,1-4H3,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).