N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide

C21H23N3O4 — CID 156601654

IUPACN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CC3CC2CC3NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H23N3O4/c1-27-17-7-14(8-18(10-17)28-2)21(26)24-12-15-6-16(24)9-19(15)23-20(25)13-4-3-5-22-11-13/h3-5,7-8,10-11,15-16,19H,6,9,12H2,1-2H3,(H,23,25)
InChIKeyWOVOBSWTFQZMKZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide

N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide (PubChem CID 156601654) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
PubChem CID156601654
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CC3CC2CC3NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H23N3O4/c1-27-17-7-14(8-18(10-17)28-2)21(26)24-12-15-6-16(24)9-19(15)23-20(25)13-4-3-5-22-11-13/h3-5,7-8,10-11,15-16,19H,6,9,12H2,1-2H3,(H,23,25)
InChIKeyWOVOBSWTFQZMKZ-UHFFFAOYSA-N
XLogP2.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 156601651
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
CID 53184800
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[(1S,4S,5S)-2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 87052937
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601593
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
N-[(1S,4S,5S)-2-(4-propylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 71836817
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide (CID 156601654) is N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide is COc1cc(OC)cc(C(=O)N2CC3CC2CC3NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
The InChIKey is WOVOBSWTFQZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-17-7-14(8-18(10-17)28-2)21(26)24-12-15-6-16(24)9-19(15)23-20(25)13-4-3-5-22-11-13/h3-5,7-8,10-11,15-16,19H,6,9,12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide?
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156601654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).