N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide

C12H18N4O2 — CID 62239477

IUPACN-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-2-14-11-7-3-5-9(16-11)12(18)15-8-4-6-10(13)17/h3,5,7H,2,4,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyHJAKGIIIQSMZNH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide

N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 62239477) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
PubChem CID62239477
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-2-14-11-7-3-5-9(16-11)12(18)15-8-4-6-10(13)17/h3,5,7H,2,4,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyHJAKGIIIQSMZNH-UHFFFAOYSA-N
XLogP0.51
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
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

N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
CID 114162803
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342410
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
6-(ethylamino)-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 104765646
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62239102
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide (CID 62239477) is N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide is CCNc1cccc(C(=O)NCCCC(N)=O)n1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is HJAKGIIIQSMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-14-11-7-3-5-9(16-11)12(18)15-8-4-6-10(13)17/h3,5,7H,2,4,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide?
N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62239477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).