N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide

C17H28N4O — CID 119620220

IUPACN-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNC2CCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-21(2)16-10-9-14(13-20-16)17(22)19-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3,(H,19,22)
InChIKeyMANQZLLAFVACDN-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 119620220) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID119620220
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNC2CCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c1-21(2)16-10-9-14(13-20-16)17(22)19-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3,(H,19,22)
InChIKeyMANQZLLAFVACDN-UHFFFAOYSA-N
XLogP2.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330
6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 55023997

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 119620220) is N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCCNC2CCCCCC2)cn1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is MANQZLLAFVACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-21(2)16-10-9-14(13-20-16)17(22)19-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119620220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).