N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide

C17H25N3O — CID 63684659

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCC2CC3CCC2C3)n1
InChIInChI=1S/C17H25N3O/c1-2-8-18-16-5-3-4-15(20-16)17(21)19-11-14-10-12-6-7-13(14)9-12/h3-5,12-14H,2,6-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGVAQFXZQHAUEIN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.07
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 63684659) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID63684659
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCC2CC3CCC2C3)n1
InChIInChI=1S/C17H25N3O/c1-2-8-18-16-5-3-4-15(20-16)17(21)19-11-14-10-12-6-7-13(14)9-12/h3-5,12-14H,2,6-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGVAQFXZQHAUEIN-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
N-cyclohexyl-6-(piperidin-1-yl)picolinamide
CID 67467060
N-[(5S)-6-[4-(6-Methylpyridin-2-yl)piperazin-1-yl]-6-oxo-5-(phenylformamido)hexyl]prop-2-enamide
CID 71452144
N~2~-[(4-methylcyclohexyl)carbonyl]-N-(6-methylpyridin-2-yl)leucinamide
CID 6621139
6-(benzyl(methyl)amino)-N-(1-cyanopyrrolidin-3-yl)picolinamide
CID 122590704
US10343992, Example 25
CID 122590894
US10807989, Example SC_1076
CID 130200559
SARS-CoV-2 PLpro Inhibitor, 30
CID 156907278
6-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 51351408
[4-(2-Fluoro-phenyl)-piperidin-1-yl]-(6-piperazin-1-yl-pyridin-2-yl)-methanone
CID 57444943
US10807989, Example SC_1015
CID 130200606
2-(4-Isobutylphenyl)-N-(2-(6-methylpyridin-2-ylamino)-2-oxoethyl)propanamide (10)
CID 129012503

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide (CID 63684659) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is GVAQFXZQHAUEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-8-18-16-5-3-4-15(20-16)17(21)19-11-14-10-12-6-7-13(14)9-12/h3-5,12-14H,2,6-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63684659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).