N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide

C12H18N4O2 — CID 114162803

IUPACN-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCCCC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-14-11-7-4-5-9(16-11)12(18)15-8-3-2-6-10(13)17/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyPTRBFWDKHHIHFO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide

N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 114162803) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID114162803
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCCCC(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-14-11-7-4-5-9(16-11)12(18)15-8-3-2-6-10(13)17/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyPTRBFWDKHHIHFO-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-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239477
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 62238654
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342479
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 55126391
6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897654
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62239696
6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide
CID 79557087

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide (CID 114162803) is N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide is CNc1cccc(C(=O)NCCCCC(N)=O)n1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is PTRBFWDKHHIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14-11-7-4-5-9(16-11)12(18)15-8-3-2-6-10(13)17/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide?
N-(5-amino-5-oxopentyl)-6-(methylamino)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-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114162803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).