N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

C17H25N3O — CID 104639772

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)C2CC3CCC2C3)nc1
InChIInChI=1S/C17H25N3O/c1-3-18-14-6-7-16(19-10-14)17(21)20-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyDAYGHRVQLBRRAO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104639772) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104639772
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)C2CC3CCC2C3)nc1
InChIInChI=1S/C17H25N3O/c1-3-18-14-6-7-16(19-10-14)17(21)20-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyDAYGHRVQLBRRAO-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
CID 103186992
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-ethylpyrazole-5-carboxamide
CID 98330564
2-amino-N-[5-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-pyridinyl]acetamide
CID 82034085
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (CID 104639772) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NC(C)C2CC3CCC2C3)nc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is DAYGHRVQLBRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-14-6-7-16(19-10-14)17(21)20-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104639772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).