4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide

C13H20N4O2 — CID 133455073

IUPAC4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)NCCNc1ccncc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12(19)17-7-6-16-10-4-5-15-8-9(10)11(14)18/h4-5,8H,6-7H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyDYYQYHRYMUTYAG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds5

About 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide

4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 133455073) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
PubChem CID133455073
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)NCCNc1ccncc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12(19)17-7-6-16-10-4-5-15-8-9(10)11(14)18/h4-5,8H,6-7H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyDYYQYHRYMUTYAG-UHFFFAOYSA-N
XLogP0.75
TPSA97.11 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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxamide
CID 133443364
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 133470718
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133469099
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide (CID 133455073) is 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide is CC(C)(C)C(=O)NCCNc1ccncc1C(N)=O.
What is the InChIKey of 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is DYYQYHRYMUTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)12(19)17-7-6-16-10-4-5-15-8-9(10)11(14)18/h4-5,8H,6-7H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide?
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133455073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).