N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

C20H20ClN3O3 — CID 156601593

IUPACN-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2
InChIInChI=1S/C20H20ClN3O3/c1-27-18-5-4-14(21)9-15(18)20(26)24-11-12-7-16(17(24)8-12)23-19(25)13-3-2-6-22-10-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,23,25)
InChIKeyWTHPFZFWDLGSNU-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (PubChem CID 156601593) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
PubChem CID156601593
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2
InChIInChI=1S/C20H20ClN3O3/c1-27-18-5-4-14(21)9-15(18)20(26)24-11-12-7-16(17(24)8-12)23-19(25)13-3-2-6-22-10-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,23,25)
InChIKeyWTHPFZFWDLGSNU-UHFFFAOYSA-N
XLogP2.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156602037
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
N-[(1R,4R,6S)-2-(furan-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052675
N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601591
N-[2-(2,3-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602110
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 156601654
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601992

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (CID 156601593) is N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is COc1ccc(Cl)cc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2.
What is the InChIKey of N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The InChIKey is WTHPFZFWDLGSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-18-5-4-14(21)9-15(18)20(26)24-11-12-7-16(17(24)8-12)23-19(25)13-3-2-6-22-10-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,23,25).
What are the key properties of N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156601593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).